SCHEMBL3308587

SCHEMBL3308587

O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cnc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
CXCR5 P32302 3/20 0.52
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL3309925 0.82 NPC1 (0.50) SMN1; SMN2ALDH1A1NPC1RAB9AGAA
SCHEMBL1560542 0.74 CXCR5 (0.61) CXCR5
SCHEMBL3308995 0.73 CXCR5 (0.64) CXCR5
SCHEMBL29384020 0.72 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HPGDHSD17B10NPC1
SCHEMBL659603 0.72 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HPGDHSD17B10NPC1
SCHEMBL27775148 0.72 CXCR5 (0.60) CXCR5HSD17B10MAPT
SCHEMBL18530688 0.72 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL18530692 0.72 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL6084148 0.71 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL1147223 0.70 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1HPGDALOX15HSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679346-B Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI-AVENTIS (FR) 2014-10-22 CN disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
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
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
CN-101679346-A substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI AVENTIS 2010-03-24 CN disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 WO 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 SMN1; SMN2 3325/4885CXCR5 1/4885ALDH1A1 1892/4885

“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.