SCHEMBL3306457

SCHEMBL3306457

O=C(O)C1(NCc2cccc3c2OCC3)Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
CXCR5 P32302 7/20 0.40
EED O75530 1/20 0.39
KCNH2 Q12809 2/20 0.39
CCR8 P51685 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
NAMPT P43490 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MTNR1A P48039 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KCNA3 P22001 1/20 0.35

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
SCHEMBL3311155 0.84 EED (0.45) PARP1CXCR5EEDKCNH2CCR8
SCHEMBL3308392 0.76 CXCR5 (0.62) PARP1CXCR5
SCHEMBL27775140 0.74 CXCR5 (0.48) CXCR5
SCHEMBL8808511 0.72 PARP1 (0.54) PARP1EEDKCNH2CCR8SLC6A2
SCHEMBL3127041 0.72 HTR2A (0.50) PARP1EEDKCNH2CCR8SLC6A2
SCHEMBL4895023 0.71 MTNR1A (0.44) PARP1EEDKCNH2CCR8NAMPT
SCHEMBL14088789 0.71 MTNR1A (0.48) PARP1EEDKCNH2CCR8NAMPT
SCHEMBL3305055 0.69 CXCR5 (0.67) CXCR5
SCHEMBL12467354 0.68 PARP1 (0.51) PARP1EEDKCNH2CCR8SLC6A2
SCHEMBL1150770 0.68 PARP1 (0.51) PARP1EEDKCNH2CCR8SLC6A2

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 7 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-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
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 PARP1 4185/4885CXCR5 1/4885EED 2885/4885

“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.