SCHEMBL686724

SCHEMBL686724

Cc1cc2oc(=O)[nH]c2c(=O)n1Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
TP53 P04637 2/20 0.42
PTGER3 P43115 2/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
LMNA P02545 2/20 0.40
BRD4 O60885 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL687583 0.85 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL687409 0.78 KMT2A (0.44) ALDH1A1L3MBTL1MAPTSMN1; SMN2KMT2A
SCHEMBL687519 0.76 ALDH1A1 (0.45) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL687340 0.75 KMT2A (0.42) ALDH1A1L3MBTL1MAPTSMN1; SMN2KMT2A
SCHEMBL687901 0.72 MAPK1 (0.44) ALDH1A1L3MBTL1MAPTSMN1; SMN2KMT2A
SCHEMBL13120786 0.71 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTSMN1; SMN2KMT2A
SCHEMBL687638 0.71 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTSMN1; SMN2KMT2A
SCHEMBL687842 0.71 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTSMN1; SMN2KMT2A
SCHEMBL687208 0.70 GAA (0.50) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL688213 0.70 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTSMN1; SMN2KMT2A

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 ALDH1A1 53/4885L3MBTL1 3947/4885MAPT 2314/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ALDH1A1 57/4885L3MBTL1 4021/4885MAPT 2566/4885

“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.