SCHEMBL6254381

SCHEMBL6254381

Cc1onc(-c2ccccc2Cl)c1N(C=O)c1ncc(-c2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
GPBAR1 Q8TDU6 6/20 0.41
HSD17B10 Q99714 1/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 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
SCHEMBL14212552 0.73 GPBAR1 (0.53) PTGS1PTGS2GPBAR1HSD17B10LMNA
SCHEMBL21119517 0.72 HSD17B10 (0.54) PTGS1PTGS2GPBAR1HSD17B10LMNA
SCHEMBL6247675 0.70 HSD17B1 (0.35) ALDH1A1MAPTKMT2APOLBHPGD
SCHEMBL6254064 0.68 KDR (0.39) HSD17B10HPGD
SCHEMBL2281131 0.66 PTGS1 (1.00) PTGS1PTGS2GPBAR1HSD17B10LMNA
SCHEMBL3724318 0.65 PTGS1 (0.57) PTGS1PTGS2GPBAR1HSD17B10LMNA
SCHEMBL6249949 0.65 ALOX5 (0.38) ALDH1A1KMT2A
SCHEMBL6227088 0.63 KDR (0.35)
SCHEMBL6252715 0.63 SLC6A2 (0.38) GPBAR1LMNAALDH1A1MAPTKMT2A
SCHEMBL6254052 0.63 TP53 (0.37) MAPT

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 PTGS1 1408/4885PTGS2 2477/4885GPBAR1 46/4885

“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.