SCHEMBL687410

SCHEMBL687410

CCc1nn(Cc2ccccc2Cl)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR35 Q9HC97 1/20 0.41
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 2/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 4/20 0.37
NPBWR1 P48145 1/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL687208 0.86 GAA (0.50) MEN1KMT2ANPSR1POLBRAB9A
SCHEMBL686662 0.78 PTGER3 (0.41) MEN1KMT2ASMN1; SMN2GAATDP1
SCHEMBL687340 0.75 KMT2A (0.42) MEN1KMT2APOLBSMN1; SMN2GAA
SCHEMBL687901 0.74 MAPK1 (0.44) MEN1KMT2ASMN1; SMN2GAATDP1
SCHEMBL687409 0.73 KMT2A (0.44) MEN1KMT2ASMN1; SMN2TDP1LMNA
SCHEMBL687494 0.73 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2GAATDP1
SCHEMBL8902381 0.72 GAA (0.42) MEN1KMT2ANPSR1POLBRAB9A
SCHEMBL686709 0.71 ALDH1A1 (0.38) MEN1KMT2AGAATDP1LMNA
SCHEMBL687338 0.70 KMT2A (0.43) MEN1KMT2ASMN1; SMN2GAATDP1
SCHEMBL687777 0.70 ALDH1A1 (0.38) MEN1KMT2AGAATDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US claimed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP claimed
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP 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 (2 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 MEN1 3955/4885KMT2A 3959/4885NPSR1 1388/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 MEN1 3985/4885KMT2A 3998/4885NPSR1 1185/4885

“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.