SCHEMBL4170179

SCHEMBL4170179

NCc1ccc(NC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.67
MITF O75030 1/20 0.65
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
PLAU P00749 2/20 0.60
POLB P06746 2/20 0.59
LMNA P02545 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
ATM Q13315 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
SNCA P37840 1/20 0.58
PLG P00747 1/20 0.57
PLAT P00750 1/20 0.57
KLKB1 P03952 1/20 0.57
PRSS1 P07477 1/20 0.57
NOS1 P29475 1/20 0.56
NOS2 P35228 1/20 0.56
HDAC3 O15379 1/20 0.56

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
SCHEMBL24892329 0.91 PLAU (0.69) RAB9ANPC1MEN1KMT2APLAU
SCHEMBL4740034 0.87 PTPN1 (0.63) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL10684470 0.86 PTPN1 (0.88) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL15650846 0.85 POLB (0.76) RAB9ANPC1MEN1KMT2APLAU
SCHEMBL28217179 0.85 POLB (0.76) RAB9ANPC1MEN1KMT2APLAU
SCHEMBL29202217 0.85 POLB (0.76) RAB9ANPC1MEN1KMT2APLAU
SCHEMBL1229626 0.84 MEN1 (0.71) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL4165737 0.84 LOXL2 (0.59) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL4249220 0.84 PTPN1 (0.73) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL19234513 0.83 LMNA (0.72) PTPN1MITFRAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2009-01-01 US disclosed
WO-2008086462-A2 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF β-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2008-07-17 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-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS TCF4, CTNNB1, TCF7 PTPN1 2569/4885MITF 581/4885RAB9A 1505/4885

“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.