SCHEMBL6229574

SCHEMBL6229574

COc1ccc(-c2sc(C(N)=O)nc2-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
MAPT P10636 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
KDM4E B2RXH2 5/20 0.56
PTGS2 P35354 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP1A2 P05177 1/20 0.56
GLA P06280 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
PTGS1 P23219 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 3/20 0.53
GAA P10253 1/20 0.53
ALOX5 P09917 1/20 0.52
PTGDR2 Q9Y5Y4 4/20 0.52
POLB P06746 1/20 0.50

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
SCHEMBL9547971 0.94 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27621014 0.89 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL12127937 0.89 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1249671 0.85 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6249950 0.83 EP300 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5909564 0.82 PTGS2 (0.59) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3311820 0.82 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6253171 0.80 PTPN1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6232789 0.80 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6252993 0.80 PTPN1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E

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 ALDH1A1 399/4885MAPT 4100/4885MEN1 4471/4885

“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.