SCHEMBL4165246

SCHEMBL4165246

NCc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.67
KMT2A Q03164 8/20 0.67
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
TNIK Q9UKE5 1/20 0.58
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
CNR1 P21554 2/20 0.53
RAB9A P51151 5/20 0.51
NPC1 O15118 3/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
GBA1 P04062 1/20 0.50

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
SCHEMBL27905664 0.90 RAB9A (0.58) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL4176742 0.84 HDAC3 (0.61) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL8993463 0.84 MAOA (0.83) MEN1KMT2AMAOAMAOBCA12
SCHEMBL28327348 0.83 MEN1 (0.69) MEN1KMT2AMAOAMAOBTNIK
SCHEMBL17976392 0.83 ABAT (0.61) MEN1KMT2AMAOAMAOBCA12
SCHEMBL545945 0.83 SMN1; SMN2 (0.65) MEN1KMT2AMAOAMAOBCA12
SCHEMBL27323392 0.82 KLKB1 (0.50) RAB9ANPC1MAPT
SCHEMBL4167790 0.81 CNR1 (0.60) MEN1KMT2ACA12CA1CA2
SCHEMBL4165737 0.81 LOXL2 (0.59) MEN1KMT2AMAOBCA12CA1
SCHEMBL28245373 0.81 KLKB1 (0.49) RAB9ANPC1MAPT

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 MEN1 3943/4885KMT2A 1372/4885MAOA 3802/4885

“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.