SCHEMBL2444693

SCHEMBL2444693

O=CNc1ccccc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.58
TSHR P16473 1/20 0.57
CCNB2 O95067 1/20 0.53
CDK1 P06493 1/20 0.53
CDK4 P11802 1/20 0.53
CCNB1 P14635 1/20 0.53
CCND1 P24385 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
HTR1A P08908 4/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
APP P05067 1/20 0.47
SGMS2 Q8NHU3 3/20 0.47
GAA P10253 1/20 0.46
ALPG P10696 1/20 0.46

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
SCHEMBL629596 0.82 CYP19A1 (0.46) BRD4CCNB2CDK1CDK4CCNB1
SCHEMBL19946528 0.81 MAPT (0.59) BRD4L3MBTL1TDP1MAPTGAA
Niacin SCHEMBL28302819 0.81 LMNA (0.56) BRD4TDP1MAPTMAPK1APP
SCHEMBL23592012 0.80 POLB (0.50) L3MBTL1MAPTGAAPPIA
SCHEMBL30954778 0.79 L3MBTL1 (0.45) BRD4CCNB2CDK1CDK4CCNB1
SCHEMBL10917600 0.79 NR4A2 (0.54) L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL2169810 0.79 L3MBTL1 (0.45) BRD4CCNB2CDK1CDK4CCNB1
SCHEMBL10919602 0.79 MAPT (0.42) BRD4CCNB2CDK1CDK4CCNB1
SCHEMBL7525333 0.79 ALDH1A1 (0.57) TSHRL3MBTL1MAPTGAANPC1
SCHEMBL10410172 0.78 BRD4 (0.43) BRD4TSHRCCNB2CDK1CDK4

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-8263623-B2 Triazol derivatives useful for the treatment of diseases PFIZER INC. (US) 2012-09-11 US disclosed
US-8263623-B2 Triazol derivatives useful for the treatment of diseases PFIZER INC. (US) 2012-09-11 US disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
US-20100010040-A1 Triazol Derivatives Useful For The Treatment of Diseases PFIZER INC 2010-01-14 US disclosed
US-20100010040-A1 Triazol Derivatives Useful For The Treatment of Diseases PFIZER INC 2010-01-14 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 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 (3 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-20100010040-A1 Triazol Derivatives Useful For The Treatment of Diseases TSLP, IL5, EPX BRD4 696/4885TSHR 1834/4885CCNB2 2563/4885
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP BRD4 127/4885TSHR 3775/4885CCNB2 3818/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H BRD4 416/4885TSHR 4735/4885CCNB2 3037/4885

“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.