SCHEMBL14875747

SCHEMBL14875747

CSc1nc2sc(-c3ccccc3)c(C)c2c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ XDH P47989 1/20 0.48
▸ RXFP1 Q9HBX9 2/20 0.46
▸ PPARG P37231 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ TMIGD3 P0DMS9 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ LIMK1 P53667 1/20 0.43
▸ CHEK1 O14757 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14882278 0.85 XDH (0.46) ALDH1A1HPGDKDM4ESMN1; SMN2XDH
SCHEMBL14875833 0.81 DHFR (0.56) ALDH1A1HPGDKDM4ESMN1; SMN2XDH
SCHEMBL11737952 0.78 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ESMN1; SMN2RXFP1
SCHEMBL14875630 0.77 ADORA3 (0.50) ALDH1A1HPGDKDM4ESMN1; SMN2RXFP1
SCHEMBL11737959 0.76 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ESMN1; SMN2RXFP1
SCHEMBL18351087 0.74 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ESMN1; SMN2RXFP1
SCHEMBL3493277 0.74 TSHR (0.65) ALDH1A1HPGDKDM4ESMN1; SMN2RXFP1
SCHEMBL14875851 0.73 GAA (0.67) ALDH1A1HPGDKDM4ESMN1; SMN2RXFP1
SCHEMBL14875716 0.73 GAA (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2RXFP1
SCHEMBL18351128 0.73 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ESMN1; SMN2RXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease F. HOFFMAN-LA ROCHE LTD 2016-12-29 — — US disclosed
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease F. HOFFMAN-LA ROCHE LTD 2016-12-29 — — US disclosed
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 — — US disclosed
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 — — US disclosed
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 — — US disclosed
EP-2794616-B1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-06-29 — — EP disclosed
EP-2794616-B1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE HOFFMANN LA ROCHE (CH) 2016-06-29 — — EP disclosed
CN-103958475-B Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases F. HOFFMANN-LA ROCHE AG (CH) 2015-11-25 — — CN disclosed
EP-2794616-A1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2014-10-29 — — EP disclosed
EP-2776396-A2 HETEROARYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2014-09-17 — — EP disclosed
CN-103958521-A Pyrimidin-4-one derivatives and their use in the treatment, alleviation or prevention of viral diseases HOFFMANN LA ROCHE 2014-07-30 — — CN disclosed
US-20130102601-A1 Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 — — US disclosed
US-20130102601-A1 Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 — — US disclosed
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 — — US disclosed
WO-2013057253-A1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-25 — — WO disclosed
WO-2013057253-A1 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-25 — — WO disclosed
WO-2013057251-A2 HETEROARYL HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-25 — — WO disclosed
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 — — US disclosed
US-20130102601-A1 Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 — — US disclosed
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2013-04-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130102601-A1 Pyrimidin-4-one derivatives and their use in the treatment, amelioration or prevention of a viral disease TPMT, TYMP, HPRT1 ALDH1A1 609/4885HPGD 1380/4885KDM4E 3487/4885
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease TTR, TYMP, TPMT ALDH1A1 464/4885HPGD 3111/4885KDM4E 3351/4885
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH ALDH1A1 956/4885HPGD 682/4885KDM4E 3498/4885
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease FAH, SLC10A1, OAT ALDH1A1 965/4885HPGD 487/4885KDM4E 3710/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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