SCHEMBL15575399

SCHEMBL15575399

O=C(NCc1ccc(Oc2ccncc2)cc1)Nc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
ALDH1A1 P00352 2/20 0.53
MAPK14 Q16539 4/20 0.51
CYP3A4 P08684 3/20 0.51
NAMPT P43490 2/20 0.49
TRPV1 Q8NER1 3/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP13 P45452 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MMP2 P08253 1/20 0.45
STAT3 P40763 1/20 0.45

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
SCHEMBL15573134 0.88 HTT (0.80) HTTALDH1A1MAPK14CYP3A4NAMPT
SCHEMBL15574688 0.88 HTT (0.65) HTTALDH1A1MAPK14CYP3A4NAMPT
SCHEMBL15574698 0.86 HTT (0.62) HTTALDH1A1MAPK14CYP3A4NAMPT
SCHEMBL16990596 0.86 DDR2 (0.47) HTTCA12CA1CA2CA9
SCHEMBL15574561 0.85 NAMPT (0.61) HTTALDH1A1MAPK14CYP3A4NAMPT
SCHEMBL15574278 0.84 RAB9A (0.62) HTTALDH1A1NAMPTLMNA
SCHEMBL16990678 0.83 HTT (0.58) HTTALDH1A1MAPK14CYP3A4NAMPT
SCHEMBL16990686 0.83 NAMPT (0.55) HTTALDH1A1MAPK14CYP3A4NAMPT
SCHEMBL15574609 0.83 MEN1 (0.56) HTTALDH1A1MAPK14NAMPTTRPV1
SCHEMBL15575325 0.83 DDR2 (0.59) MAPK14CA9MEN1KMT2A

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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US claimed
EP-2890380-A2 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-07-08 EP claimed
WO-2014032755-A2 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-03-06 WO claimed
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US disclosed
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US disclosed
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US disclosed
EP-2890380-A2 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-07-08 EP disclosed
WO-2014032755-A2 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-03-06 WO 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 (1 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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 HTT 3579/4885ALDH1A1 2098/4885MAPK14 455/4885

“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.