SCHEMBL13490478

SCHEMBL13490478

COCOc1ccc(C(=O)NC2CCCC(c3nc4ccccc4[nH]3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 1/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
HTR2B P41595 2/20 0.46
OPRK1 P41145 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM5 P41594 1/20 0.41

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 SCHEMBL3263803 0.94 CXCR6 (0.43) CXCR6MAPTPOLBHTR2BOPRK1
SCHEMBL13490400 0.90 HTR2B (0.56) CXCR6HTR2BSMN1; SMN2THRBALDH1A1
Hydrochloric Acid SCHEMBL3201873 0.89 HTR2B (0.55) CXCR6HTR2BSMN1; SMN2THRBALDH1A1
SCHEMBL13490618 0.83 MEN1 (0.54) CXCR6MAPTPOLBHTR2BSMN1; SMN2
SCHEMBL13490741 0.83 MEN1 (0.54) CXCR6MAPTPOLBHTR2BSMN1; SMN2
SCHEMBL14192268 0.83 MEN1 (0.54) CXCR6MAPTPOLBHTR2BSMN1; SMN2
SCHEMBL13490372 0.83 MEN1 (0.54) CXCR6MAPTPOLBHTR2BSMN1; SMN2
SCHEMBL3212293 0.83 HCAR3 (0.45) CXCR6HTR2BALDH1A1
SCHEMBL14192261 0.83 HCAR3 (0.45) CXCR6HTR2BALDH1A1
Hydrochloric Acid SCHEMBL3218463 0.83 CXCR6 (0.53) CXCR6MAPTPOLBHTR2BSMN1; SMN2

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 CXCR6 3847/4885MAPT 2652/4885POLB 3043/4885

“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.