SCHEMBL688213

SCHEMBL688213

O=c1[nH]c2c(=O)n(Cc3ccccc3Cl)c3c(c2o1)CCCCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.38
PDE1B Q01064 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 4/20 0.37
HSD11B1 P28845 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HTR3A P46098 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36

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
SCHEMBL687638 0.99 ALDH1A1 (0.41) ALDH1A1L3MBTL1KMT2AMEN1TSHR
SCHEMBL687842 0.97 ALDH1A1 (0.41) ALDH1A1L3MBTL1KMT2AMEN1TSHR
SCHEMBL686678 0.81 L3MBTL1 (0.36) ALDH1A1L3MBTL1KMT2AMEN1LMNA
SCHEMBL687409 0.77 KMT2A (0.44) ALDH1A1L3MBTL1KMT2AMEN1TDP1
SCHEMBL686916 0.76 KDM4E (0.36) ALDH1A1L3MBTL1KMT2AMEN1TDP1
SCHEMBL687340 0.74 KMT2A (0.42) ALDH1A1L3MBTL1KMT2AMEN1TDP1
SCHEMBL688033 0.74 TIPARP (0.33) L3MBTL1KMT2AMEN1TSHRHPGD
SCHEMBL688362 0.72 ALDH1A1 (0.36) ALDH1A1TSHRLMNAHTTHPGD
SCHEMBL687901 0.71 MAPK1 (0.44) ALDH1A1L3MBTL1KMT2AMEN1TDP1
SCHEMBL686662 0.70 PTGER3 (0.41) ALDH1A1L3MBTL1KMT2AMEN1TDP1

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 3947/4885KMT2A 3959/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ALDH1A1 57/4885L3MBTL1 4021/4885KMT2A 3998/4885

“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.