SCHEMBL14875741

SCHEMBL14875741

O=C(c1cc(-c2ccccc2)ccn1)N(O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
ALOX5 P09917 3/20 0.41
CFTR P13569 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
TSHR P16473 1/20 0.40
CTSA P10619 2/20 0.40
RIPK1 Q13546 1/20 0.40
PTGES O14684 1/20 0.40
WNT3A P56704 1/20 0.40
AOC3 Q16853 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL14876168 0.91 PRKCI (0.49) CNR2ABHD6PTGESAOC3
SCHEMBL14876175 0.91 CNR2 (0.43) CNR2AOC3
SCHEMBL14875835 0.91 MMP1 (0.47) ALOX5RIPK1WNT3A
SCHEMBL18137709 0.90 KMO (0.43) CNR2WNT3A
SCHEMBL14875870 0.88 MKNK1 (0.50) ABHD6AOC3
SCHEMBL14875843 0.87 FYN (0.42) CNR2ABHD6TSHREGFR
SCHEMBL14876257 0.87 KMO (0.58) CNR2ALOX5CTSA
SCHEMBL14876165 0.86 KMT2A (0.48) CNR2
SCHEMBL14897957 0.84 CNR2 (0.41) CNR2ALOX5ABHD6CTSAPTGES
SCHEMBL14875887 0.84 SLC7A5 (0.44) CNR2EGFR

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 16 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
CN-103958521-B Pyrimidin-4-one derivatives and their use in the treatment, alleviation or prevention of viral diseases 弗·哈夫曼-拉罗切有限公司 2016-10-19 CN 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
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-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
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
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
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

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 CNR2 4652/4885ALOX5 3311/4885CFTR 3297/4885
US-20160376286-A1 Pyrimidin-4-one derivatives and their use in the tratement, amelioration or prevention of a viral disease TTR, TYMP, TPMT CNR2 4608/4885ALOX5 2218/4885CFTR 1850/4885
US-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH CNR2 4757/4885ALOX5 1304/4885CFTR 4248/4885
US-20130102600-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease FAH, SLC10A1, OAT CNR2 4390/4885ALOX5 668/4885CFTR 3792/4885

“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.