SCHEMBL6252993

SCHEMBL6252993

N#Cc1ccc(-c2sc(C(N)=O)nc2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
CDC25B P30305 1/20 0.47
DUSP3 P51452 1/20 0.47
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
MAPT P10636 3/20 0.44
CYP2D6 P10635 2/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
PTGS2 P35354 4/20 0.43
ALOX5 P09917 1/20 0.43
XIAP P98170 2/20 0.41
CDC7 O00311 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
PARP1 P09874 3/20 0.41

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
SCHEMBL6253171 1.00 PTPN1 (0.47) PTPN1CDC25BDUSP3ALDH1A1CYP1A2
SCHEMBL6229131 0.88 PARP1 (0.46) PTPN1CDC25BDUSP3CYP1A2CYP2C19
SCHEMBL12127937 0.87 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C19MAPTCYP2D6
SCHEMBL6229574 0.80 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C19MAPTKDM4E
SCHEMBL28017851 0.79 ALDH1A1 (0.52) ALDH1A1CYP1A2KDM4EGAACDC7
SCHEMBL6249950 0.79 EP300 (0.51) ALDH1A1CYP1A2CYP2C19MAPTCYP2D6
SCHEMBL6232789 0.76 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C19MAPTCYP2D6
SCHEMBL5924855 0.75 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C19MAPTCYP2D6
SCHEMBL4279619 0.75 ADORA2A (0.42) ALDH1A1CYP1A2CYP2C19MAPTCYP2D6
SCHEMBL27757739 0.74 CDC7 (0.55) ALDH1A1CYP1A2CYP2C19MAPTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 PTPN1 4240/4885CDC25B 4768/4885DUSP3 3959/4885

“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.