SCHEMBL3310992

SCHEMBL3310992

CCOC(=O)C1(NC(=O)c2ccncc2NCC(C)C)Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.50
KDM6B O15054 2/20 0.50
CXCR5 P32302 14/20 0.42
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
BRD4 O60885 1/20 0.38
LATS1 O95835 1/20 0.36

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
SCHEMBL3309713 0.82 CXCR5 (0.44) CXCR5BRD4
SCHEMBL3309425 0.82 CXCR5 (0.45) CXCR5
SCHEMBL3310256 0.81 CXCR5 (0.41) CXCR5BRD4
SCHEMBL3307868 0.79 MCHR1 (0.42) CXCR5
SCHEMBL3307933 0.77 ALDH1A1 (0.40) CXCR5
SCHEMBL3306601 0.74 CXCR5 (0.45) CXCR5
SCHEMBL3305144 0.74 CXCR5 (0.50) CXCR5
SCHEMBL3310685 0.73 CXCR5 (0.55) CXCR5
SCHEMBL3307710 0.72 CXCR5 (0.48) CXCR5
SCHEMBL3312106 0.72 CXCR5 (0.51) CXCR5

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-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 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-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS CXCR5, CXCR1, CCR5 KDM4C 3780/4885KDM6B 3985/4885CXCR5 1/4885

“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.