SCHEMBL14882659

SCHEMBL14882659

O=C(NO)c1cc(NS(=O)(=O)Cc2ccc(F)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 5/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ BRPF1 P55201 1/20 0.41
▸ GAK O14976 1/20 0.39
▸ STK16 O75716 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ BMP2K Q9NSY1 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ MET P08581 2/20 0.38
▸ JMJD7 P0C870 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL18135112 0.89 ANO1 (0.49) ANO1NAMPTKMT2APOLBALDH1A1
SCHEMBL14882735 0.88 ALDH1A1 (0.52) ANO1POLBHDAC1HDAC8HDAC6
SCHEMBL14875894 0.88 HDAC1 (0.56) KMT2APOLBHDAC1ALDH1A1KDM4E
SCHEMBL14882660 0.87 ANO1 (0.50) ANO1KMT2APOLBHDAC1HDAC8
Hydrochloric Acid SCHEMBL14876192 0.87 ALDH1A1 (0.51) ANO1POLBHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL14876023 0.86 ANO1 (0.49) ANO1KMT2APOLBHDAC1HDAC8
SCHEMBL14882665 0.83 ANO1 (0.49) ANO1POLBHDAC1HDAC8HDAC6
SCHEMBL14882742 0.83 ANO1 (0.47) ANO1POLBHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL14875884 0.82 ANO1 (0.48) ANO1POLBHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL14875722 0.82 ANO1 (0.47) ANO1POLBHDAC1HDAC8HDAC6

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 8 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-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
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-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 ANO1 3256/4885NAMPT 44/4885KMT2A 4388/4885
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease TTR, TYMP, TPMT ANO1 1359/4885NAMPT 106/4885KMT2A 4231/4885
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH ANO1 4446/4885NAMPT 211/4885KMT2A 2713/4885
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease FAH, SLC10A1, OAT ANO1 4784/4885NAMPT 333/4885KMT2A 2376/4885

“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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