SCHEMBL7057301

SCHEMBL7057301

CCc1cc(C(N)=O)c(NC(=O)Cc2ccccc2)s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
NPSR1 Q6W5P4 3/20 0.72
ALDH1A1 P00352 8/20 0.64
KDM4E B2RXH2 5/20 0.64
HPGD P15428 5/20 0.64
MAPK8 P45983 4/20 0.60
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HSD17B10 Q99714 4/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
MAPK10 P53779 2/20 0.54
ALOX15 P16050 2/20 0.54
POLB P06746 1/20 0.54
NPC1 O15118 1/20 0.54
TSHR P16473 2/20 0.54
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53
CDK5 Q00535 1/20 0.53

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
SCHEMBL2759478 0.82 ALDH1A1 (0.59) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL6995919 0.82 ALDH1A1 (0.67) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL10135139 0.79 ALDH1A1 (0.61) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL24489005 0.78 ALDH1A1 (0.62) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL24489088 0.77 ALDH1A1 (0.67) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL24489002 0.76 ALDH1A1 (0.65) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL5096639 0.76 ALDH1A1 (0.73) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL24489102 0.76 ALDH1A1 (0.59) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL13126362 0.75 MAPK8 (1.00) MAPTMAPK8MEN1KMT2ARAB9A
SCHEMBL24489125 0.75 ALDH1A1 (0.63) MAPTNPSR1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 US disclosed
US-6579882-B2 Thieno(2,3-d)pyrimidine derivatives ABBOTT LABORATORIES 2003-06-17 US disclosed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 US disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 US disclosed
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 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 (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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM MAPT 3906/4885NPSR1 759/4885ALDH1A1 153/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM MAPT 3906/4885NPSR1 759/4885ALDH1A1 153/4885

“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.