SCHEMBL346441

SCHEMBL346441

Fc1cccc(-c2n[c]on2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
NOTUM Q6P988 2/20 0.41
IDO1 P14902 2/20 0.41
GRM5 P41594 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGDS O60760 1/20 0.38
HTR7 P34969 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
NISCH Q9Y2I1 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
SCHEMBL28710960 0.81 GRM5 (0.33) NOTUMGRM5
SCHEMBL5548164 0.80 RAB9A (0.49) TP53IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL5551743 0.79 IDO1 (0.45) TP53NOTUMIDO1GRM5NPC1
SCHEMBL2171160 0.78 CASP3 (0.47) NOTUMIDO1NPC1RAB9ASMN1; SMN2
SCHEMBL345937 0.77 NPC1 (0.39) TP53NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL30206 0.77 RAB9A (0.44) TP53NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL28713706 0.76 CHRNB2 (0.38) TP53NOTUMIDO1ESR2NPC1
SCHEMBL5551741 0.75 DYRK1A (0.56) TP53NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL28719963 0.72 KMO (0.36) NPC1RAB9A
SCHEMBL27095783 0.72 TAAR1 (0.56) TP53NOTUMIDO1TAAR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304070-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-12-04 US claimed
US-20050101778-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2005-05-12 US claimed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 US 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 (2 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A TP53 3203/4885NOTUM 1779/4885IDO1 2646/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 TP53 4589/4885NOTUM 4451/4885IDO1 1031/4885

“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.