SCHEMBL13490400

SCHEMBL13490400

COc1ccc(C(=O)NC2CCCC(c3nc4ccccc4[nH]3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
GRM5 P41594 1/20 0.52
THRB P10828 1/20 0.52
CXCR6 O00574 1/20 0.51
COMT P21964 1/20 0.46
STK33 Q9BYT3 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
CNR2 P34972 1/20 0.45

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
Hydrochloric Acid SCHEMBL3201873 0.99 HTR2B (0.55) HTR2BSMN1; SMN2MEN1NPC1PKM
SCHEMBL13490372 0.91 MEN1 (0.54) HTR2BSMN1; SMN2MEN1NPC1PKM
SCHEMBL13490618 0.91 MEN1 (0.54) HTR2BSMN1; SMN2MEN1NPC1PKM
SCHEMBL13490741 0.91 MEN1 (0.54) HTR2BSMN1; SMN2MEN1NPC1PKM
SCHEMBL14192268 0.91 MEN1 (0.54) HTR2BSMN1; SMN2MEN1NPC1PKM
Hydrochloric Acid SCHEMBL3218463 0.90 CXCR6 (0.53) HTR2BSMN1; SMN2MEN1NPC1PKM
Hydrochloric Acid SCHEMBL3213396 0.90 CXCR6 (0.53) HTR2BSMN1; SMN2MEN1NPC1PKM
SCHEMBL13490478 0.90 CXCR6 (0.47) HTR2BSMN1; SMN2MEN1NPC1PKM
SCHEMBL3213194 0.87 SMN1; SMN2 (0.62) HTR2BSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL14192873 0.87 SMN1; SMN2 (0.62) HTR2BSMN1; SMN2MEN1NPC1RAB9A

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 HTR2B 3456/4885SMN1; SMN2 746/4885MEN1 2892/4885

“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.