SCHEMBL13490684

SCHEMBL13490684

O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc2nonc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
CHEK1 O14757 1/20 0.46
HTR2B P41595 4/20 0.45
CXCR6 O00574 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
PTPN7 P35236 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
CASP7 P55210 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42

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
Trifluoroacetic Acid SCHEMBL3219974 0.94 EPHX2 (0.47) EPHX2TAS1R3TAS1R1TAS1R2CHEK1
SCHEMBL13490701 0.89 HTR2B (0.46) CHEK1HTR2BCXCR6SMN1; SMN2POLB
SCHEMBL13490663 0.88 SMN1; SMN2 (0.47) CHEK1HTR2BCXCR6SMN1; SMN2GID4
SCHEMBL14192836 0.87 CHEK1 (0.46) CHEK1HTR2BCXCR6SMN1; SMN2USP30
SCHEMBL13490686 0.87 CXCR6 (0.46) CHEK1HTR2BCXCR6SMN1; SMN2USP30
SCHEMBL13490394 0.86 NPC1 (0.45) CHEK1HTR2BCXCR6SMN1; SMN2USP30
SCHEMBL13490674 0.86 RAB9A (0.54) TAS1R3TAS1R1SMN1; SMN2MEN1POLB
SCHEMBL13490408 0.86 RAB9A (0.54) CHEK1SMN1; SMN2MEN1POLBKMT2A
SCHEMBL13490392 0.86 RAB9A (0.54) TAS1R3TAS1R1SMN1; SMN2MEN1POLB
SCHEMBL3206398 0.86 RAB9A (0.54) CHEK1SMN1; SMN2MEN1POLBKMT2A

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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US disclosed
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 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 (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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES ACIN1, HAT1, CCNE1 EPHX2 4250/4885TAS1R3 234/4885TAS1R1 305/4885

“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.