SCHEMBL4170133

SCHEMBL4170133

CC(C)(C)CC(NC(=O)O)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.41
CNR2 P34972 2/20 0.41
RIPK1 Q13546 1/20 0.37
CYP26A1 O43174 3/20 0.36
CNR1 P21554 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL25385394 0.80 SOAT1 (0.45) SOAT1CNR2RIPK1CNR1SMN1; SMN2
SCHEMBL19276712 0.78 ALDH1A1 (0.33) SOAT1NPC1RAB9AALDH1A1TDP1
SCHEMBL2384740 0.75 CNR2 (0.41) SOAT1CNR2CNR1NPC1RAB9A
SCHEMBL5206391 0.74 OPRK1 (0.44) RAB9ALMNAADRB2ADRB1ADRB3
SCHEMBL5205938 0.74 OPRK1 (0.44) RAB9ALMNAADRB2ADRB1ADRB3
SCHEMBL26200361 0.73 KMT2A (0.49) RIPK1LMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL29142747 0.73 LMNA (0.58) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL5502273 0.72 TAAR1 (0.41) MAOA
SCHEMBL15514071 0.72 ALDH1A1 (0.49) CNR2LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL25386581 0.72 ALDH1A1 (0.49) CNR2LMNAALDH1A1SMN1; SMN2KDM4E

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 SOAT1 2141/4885CNR2 4284/4885RIPK1 3103/4885

“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.