SCHEMBL512933

SCHEMBL512933

Cc1noc(C)c1-c1nc(CCl)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.58
LMNA P02545 2/20 0.56
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
TDP1 Q9NUW8 1/20 0.42
BRD4 O60885 5/20 0.38
BRD2 P25440 1/20 0.38
ERBB2 P04626 1/20 0.36
EPHA2 P29317 1/20 0.36
KDR P35968 1/20 0.36
EPHB4 P54760 1/20 0.36
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
USP2 O75604 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL12445210 0.84 L3MBTL1 (0.56) L3MBTL1LMNAALDH1A1KDM4ENPC1
SCHEMBL2872731 0.82 L3MBTL1 (0.55) L3MBTL1LMNAALDH1A1KDM4ENPC1
SCHEMBL2872727 0.82 ALDH1A1 (0.56) L3MBTL1LMNAALDH1A1KDM4ENPC1
SCHEMBL13617499 0.79 L3MBTL1 (0.52) L3MBTL1LMNAALDH1A1KDM4ENPC1
SCHEMBL14996219 0.79 L3MBTL1 (0.52) L3MBTL1LMNAALDH1A1KDM4ENPC1
SCHEMBL5428577 0.76 PTGS2 (0.58) L3MBTL1LMNAALDH1A1KDM4ETDP1
SCHEMBL2704689 0.75 NPC1 (0.50) L3MBTL1LMNAALDH1A1KDM4ENPC1
SCHEMBL12204798 0.69 KDM4E (0.65) L3MBTL1LMNAALDH1A1KDM4ENPC1
SCHEMBL12966700 0.69 CASP3 (0.45) L3MBTL1LMNAALDH1A1KDM4ENPC1
SCHEMBL12071899 0.69 L3MBTL1 (0.57) L3MBTL1LMNAALDH1A1KDM4ENPC1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
EP-1937673-B1 IMIDAZOLE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI SA (FR) 2015-10-21 EP disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
US-8673948-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2014-03-18 US disclosed
EP-2079466-B1 SUBSTITUTED INDOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-01-15 EP disclosed
WO-2013086131-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-13 WO disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US disclosed
US-20110301203-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-12-08 US disclosed
US-6426354-B1 CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; BRAIN DISORDERS NOVARTIS AG (CH) 2002-07-30 US disclosed
EP-1194404-A1 INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 2002-04-10 EP disclosed
US-20020040023-A1 Substituted arylsulfides, arylsulfoxides and arylsulfones as beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-04 US disclosed
US-20020025976-A1 Thiazole compounds and pharmaceutical compositions for inhibiting protein kinases and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-02-28 US disclosed
EP-1181283-A1 DIAMINOTHIAZOLES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-02-27 EP disclosed
WO-2002006250-A1 SUBSTITUTED ARYLSULFIDES, ARYLSULFOXIDES AND ARYLSULFONES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed
EP-1080104-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME Novartis AG (CH) 2001-03-07 EP disclosed
WO-2000076961-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-12-21 WO disclosed
WO-2000075120-A1 DIAMINOTHIAZOLES AND THEIR USE FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-14 WO disclosed
WO-1999055723-A1 CERTAIN HETEROARYL SUBSTITUTED THIOL INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME NOVARTIS AG (CH) 1999-11-04 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 (5 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-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 L3MBTL1 3544/4885LMNA 1831/4885ALDH1A1 3831/4885
US-20110301203-A1 CHEMICAL COMPOUNDS AR, NR5A1, ESRRA L3MBTL1 4589/4885LMNA 4095/4885ALDH1A1 671/4885
US-20020040023-A1 Substituted arylsulfides, arylsulfoxides and arylsulfones as beta-3 adrenergic receptor agonists ADRB1, ADRB3, GPR119 L3MBTL1 3820/4885LMNA 3685/4885ALDH1A1 602/4885
US-20020025976-A1 Thiazole compounds and pharmaceutical compositions for inhibiting protein kinases and methods for their use BRAF, CDK2, CHUK L3MBTL1 4722/4885LMNA 3774/4885ALDH1A1 2580/4885
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 L3MBTL1 1294/4885LMNA 1601/4885ALDH1A1 2610/4885

“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.