SCHEMBL13360605

SCHEMBL13360605

CCOC(=O)C1(NCl)Cc2ccc(F)c(F)c2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 3/20 0.42
OPRM1 P35372 7/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD4 O60885 1/20 0.33
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
SLC22A1 O15245 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC4 P56524 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ABCB11 O95342 1/20 0.31

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
SCHEMBL13981746 0.89 CXCR5 (0.45) CXCR5OPRM1MEN1KMT2ABRD4
SCHEMBL13360290 0.87 MEN1 (0.38) CXCR5OPRM1MEN1KMT2ABRD4
SCHEMBL3304678 0.78 OPRM1 (0.37) CXCR5OPRM1MEN1KMT2ABRD4
Hydrochloric Acid SCHEMBL3306425 0.77 OPRM1 (0.39) CXCR5OPRM1MEN1KMT2ABRD4
SCHEMBL3312092 0.77 CXCR5 (0.58) CXCR5
SCHEMBL3305054 0.75 OPRM1 (0.35) CXCR5OPRM1MEN1KMT2ABRD4
SCHEMBL13981766 0.74 CXCR5 (0.39) CXCR5OPRM1MEN1KMT2ABRD4
SCHEMBL3310445 0.74 CXCR5 (0.78) CXCR5
SCHEMBL9886521 0.68 MGAM (0.39) OPRM1MEN1KMT2AOPRD1OPRK1
SCHEMBL29203032 0.68 OPRM1 (0.40) OPRM1MEN1KMT2ABRD4OPRD1

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 CXCR5 1/4885OPRM1 619/4885MEN1 3627/4885

“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.