SCHEMBL4030946

SCHEMBL4030946

Cc1cccc(C(=O)Cc2ccc3ncccc3c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.49
ANO1 Q5XXA6 1/20 0.47
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLS O94925 2/20 0.44
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
PLK1 P53350 1/20 0.43
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
KDR P35968 2/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
MET P08581 1/20 0.41

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
SCHEMBL14576794 0.87 NPC1 (0.48) ANO1RAB9ATP53RECQLKDR
SCHEMBL5231962 0.84 HDAC3 (0.56) HDAC3ANO1RAB9ATP53RECQL
SCHEMBL5235128 0.82 ALOX5 (0.49) HDAC3MEN1MAPTKMT2AP2RX7
SCHEMBL23389840 0.81 NPC1 (0.40) HDAC3RAB9ATP53ALOX15NPC1
SCHEMBL29796631 0.81 NPC1 (0.40) HDAC3RAB9ATP53ALOX15NPC1
SCHEMBL3242762 0.80 LMNA (0.45) KDRMETP2RX7DOT1LTGFBR1
SCHEMBL6222520 0.78 P2RX7 (0.42) RAB9AALDH1A1NPC1MEN1MAPT
SCHEMBL29528473 0.78 P2RX7 (0.42) RAB9AALDH1A1NPC1MEN1MAPT
SCHEMBL24814483 0.78 HDAC3 (0.58) HDAC3ANO1RAB9ATP53RECQL
Bromide SCHEMBL5260108 0.77 HDAC3 (0.52) HDAC3ANO1RAB9ATP53RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP disclosed
US-20080275235-A1 NOVEL FUSED HETEROAROMATIC COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER INC. (US) 2008-11-06 US disclosed
US-7417041-B2 Imidazopyrimidines as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2008-08-26 US disclosed
US-7273936-B2 Oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2007-09-25 US disclosed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
EP-1601676-A2 FUSED IMIDAZOLES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2005-12-07 EP disclosed
EP-1542994-A1 NOVEL TRIAZOLE AND OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
WO-2004078110-A2 FUSED IMIZADOLES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-09-16 WO disclosed
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-09-09 US disclosed
US-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-10 US disclosed
WO-2004026863-A1 NOVEL OXAZOLE AND THIAZOLE 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-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors TGFBR1, TGFBR2, SMAD3 HDAC3 813/4885ANO1 3049/4885RAB9A 4469/4885
US-20080275235-A1 NOVEL FUSED HETEROAROMATIC COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS TGFBR1, SMAD3, SMAD2 HDAC3 332/4885ANO1 4506/4885RAB9A 2755/4885
US-20040176390-A1 Novel fused heteroaromatic compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, SMAD2 HDAC3 368/4885ANO1 4559/4885RAB9A 2931/4885

“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.