SCHEMBL4065212

SCHEMBL4065212

Cc1cccc(CC(=O)c2ccc3nnn(C)c3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.42
NSD2 O96028 1/20 0.41
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
GAA P10253 4/20 0.40
HPGD P15428 4/20 0.40
NOTUM Q6P988 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MGAM O43451 3/20 0.38
AMY1A P0DUB6 3/20 0.38
SI P14410 3/20 0.38
MGAM2 Q2M2H8 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
AHR P35869 1/20 0.37
SLC9A1 P19634 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
SCHEMBL5695828 0.81 TGFBR1 (0.42) RAB9ASMN1; SMN2NPC1GAAHPGD
SCHEMBL4065931 0.78 HCAR3 (0.44) HCAR3NSD2RAB9ASMN1; SMN2NPC1
SCHEMBL6177854 0.76 NPC1 (0.57) RAB9ASMN1; SMN2NPC1GAAHPGD
SCHEMBL27627479 0.76 CYP19A1 (0.38) HCAR3NSD2HPGDNOTUMKDM4E
SCHEMBL6179968 0.75 MAPT (0.46) RAB9ASMN1; SMN2NPC1GAAHPGD
SCHEMBL27608277 0.75 SLC9A1 (0.41) NSD2RAB9ASMN1; SMN2NPC1NOTUM
SCHEMBL27627481 0.73 CYP19A1 (0.37) HCAR3NSD2NOTUMSLC9A1KEAP1
SCHEMBL4866118 0.72 P2RX7 (0.40) RAB9ANPC1NPSR1
SCHEMBL12349868 0.72 HCAR3 (0.57) HCAR3NSD2RAB9ASMN1; SMN2NPC1
SCHEMBL1256199 0.72 HCAR3 (0.76) HCAR3RAB9ASMN1; SMN2HPGDMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635702-B2 Imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2009-12-22 US disclosed
EP-1542990-B1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PROD INC (US) 2009-06-17 EP disclosed
US-20070088037-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER INC. (US) 2007-04-19 US disclosed
US-7153872-B2 Imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2006-12-26 US disclosed
US-20060247233-A1 Thiazoles inhibitors of the alk-5 receptor SMITHKLINE BEECHAM CORPORATION 2006-11-02 US disclosed
EP-1660494-A2 THIAZOLES AS INHIBITORS OF THE ALK-5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2006-05-31 EP disclosed
EP-1542990-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2005-06-22 EP disclosed
WO-2004111046-A2 THIAZOLES AS INHIBITORS OF THE ALK- 5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-12-23 WO disclosed
US-20040106608-A1 Novel imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-03 US disclosed
WO-2004026859-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-04-01 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 (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-20060247233-A1 Thiazoles inhibitors of the alk-5 receptor SMAD3, ALK, SMAD2 HCAR3 532/4885NSD2 4558/4885RAB9A 4363/4885
US-20040106608-A1 Novel imidazole compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, TGFBR2 HCAR3 2875/4885NSD2 3051/4885RAB9A 2674/4885
US-20070088037-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS TGFBR1, SMAD3, TGFBR2 HCAR3 2901/4885NSD2 2883/4885RAB9A 2509/4885

“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.