SCHEMBL13490682

SCHEMBL13490682

Cc1[nH]c2ccc(C(=O)N[C@@H]3CCC[C@H](c4nc5ccccc5[nH]4)C3)cc2c1C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
NPC1 O15118 4/20 0.55
MAPT P10636 4/20 0.45
TP53 P04637 2/20 0.45
CHEK1 O14757 1/20 0.44
CXCR6 O00574 1/20 0.44
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 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 SCHEMBL3210802 0.94 RAB9A (0.55) RAB9ANPC1MAPTTP53CHEK1
SCHEMBL13490686 0.86 CXCR6 (0.46) RAB9ACHEK1CXCR6
SCHEMBL13490608 0.86 CHEK1 (0.47) RAB9ANPC1CHEK1CXCR6POLB
SCHEMBL14192836 0.85 CHEK1 (0.46) CHEK1CXCR6
SCHEMBL13490663 0.84 SMN1; SMN2 (0.47) CHEK1CXCR6
SCHEMBL13490680 0.84 ADORA1 (0.46) RAB9ANPC1CHEK1CXCR6POLB
SCHEMBL13490710 0.83 CHRM4 (0.47) RAB9ANPC1CHEK1CXCR6
SCHEMBL14192843 0.83 CHRM4 (0.47) RAB9ANPC1CHEK1CXCR6
SCHEMBL13490701 0.83 HTR2B (0.46) RAB9ANPC1MAPTCHEK1CXCR6
SCHEMBL13490684 0.82 EPHX2 (0.50) CHEK1CXCR6POLBMEN1KMT2A

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 RAB9A 1662/4885NPC1 3250/4885MAPT 2652/4885

“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.