SCHEMBL3308178

SCHEMBL3308178

C=CCCNc1ncccc1C(=O)NC1(C(=O)OCC)Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 15/20 0.46
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL28785315 0.86 CXCR5 (0.53) CXCR5HTTKDM4EMEN1MAPT
SCHEMBL3309425 0.85 CXCR5 (0.45) CXCR5HTT
SCHEMBL3304733 0.82 L3MBTL1 (0.53) CXCR5HTTALDH1A1HPGDMEN1
SCHEMBL3309895 0.80 CXCR5 (0.45) CXCR5ALDH1A1
SCHEMBL3312186 0.80 CXCR5 (0.46) CXCR5HTT
SCHEMBL3304832 0.79 CXCR5 (0.46) CXCR5HTT
SCHEMBL3307831 0.78 MEN1 (0.47) CXCR5HTTKDM4EALDH1A1HPGD
SCHEMBL13328530 0.78 KMT2A (0.52) CXCR5ALDH1A1HPGDMEN1KMT2A
SCHEMBL3314307 0.77 TSHR (0.50) CXCR5ALDH1A1HSD17B10MEN1MAPT
SCHEMBL3307341 0.77 CXCR5 (0.42) CXCR5HTT

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 1/4885HTT 4232/4885KDM4E 2918/4885

“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.