SCHEMBL14373253

SCHEMBL14373253

COc1cccc(CN(C)C(=O)CCn2c(=N)n(CC(=O)c3ccc(Cl)cc3)c3ccccc32)c1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 14/20 0.78
▸ TSPO P30536 2/20 0.56
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NPC1 O15118 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ POLB P06746 1/20 0.52

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
SCHEMBL14373263 0.90 CXCR3 (0.82) CXCR3MEN1KMT2AMAPTRAB9A
SCHEMBL5459136 0.90 CXCR3 (0.85) CXCR3MEN1KMT2AMAPT
SCHEMBL14373257 0.89 CXCR3 (0.82) CXCR3MEN1KMT2AMAPT
SCHEMBL14373262 0.88 CXCR3 (1.00) CXCR3MEN1KMT2AMAPTKDM4E
SCHEMBL14373266 0.87 CXCR3 (0.94) CXCR3MEN1KMT2AMAPT
SCHEMBL5458635 0.85 CXCR3 (0.77) CXCR3MEN1KMT2AMAPT
SCHEMBL14373254 0.84 CXCR3 (0.87) CXCR3MEN1KMT2ANPC1MAPT
SCHEMBL14373258 0.81 CXCR3 (0.81) CXCR3MEN1KMT2AMAPT
SCHEMBL14373376 0.80 CXCR3 (1.00) CXCR3TSPOMEN1KMT2AMAPT
SCHEMBL5479686 0.78 CXCR3 (0.66) CXCR3MEN1KMT2A

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-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — 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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 CXCR3 4743/4885TSPO 632/4885MEN1 614/4885

“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.

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