SCHEMBL1958352

SCHEMBL1958352

CSc1ncc(C=O)n1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 2/20 0.42
BRAF P15056 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHFR P00374 3/20 0.39
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8143184 0.87 POLB (0.45) POLBALDH1A1NPSR1LMNAHTT
SCHEMBL6104023 0.80 ALDH1A1 (0.54) POLBALDH1A1NPSR1LMNAMAPK1
SCHEMBL29955082 0.78 ALDH1A1 (0.47) POLBALDH1A1NPSR1LMNAHTT
SCHEMBL4033566 0.78 ALDH1A1 (0.47) ALDH1A1NPSR1LMNA
SCHEMBL29956774 0.77 ALDH1A1 (0.46) POLBALDH1A1NPSR1LMNAHTT
SCHEMBL3555531 0.77 POLB (0.59) POLBALDH1A1NPSR1LMNAHTT
SCHEMBL16372047 0.77 ALDH1A1 (0.46) POLBALDH1A1NPSR1LMNAHTT
SCHEMBL14146699 0.75 POLB (0.58) POLBALDH1A1NPSR1LMNAHTT
SCHEMBL9060135 0.75 AGTR1 (0.49) ALDH1A1NPSR1LMNA
SCHEMBL1778393 0.69 TRIM24 (0.36) POLBALDH1A1NPSR1LMNAHTT

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
EP-2332905-B1 BCRP/ABCG2 Inhibitor YAKULT HONSHA KK (JP) 2017-03-01 EP disclosed
US-8697742-B2 BCRP/ABCG2 inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-04-15 US disclosed
EP-2332905-A1 BCRP/ABCG3 Inhibitor Kabushiki Kaisha Yakult Honsha (JP) 2011-06-15 EP disclosed
US-20090253656-A1 BCRP/ABCG2 INHIBITOR KABUSHIKI KAISHA YAKULT HONSHA (JP) 2009-10-08 US disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
EP-1864972-A1 BCRP/ABCG2 INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2007-12-12 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 (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-20090253656-A1 BCRP/ABCG2 INHIBITOR ABCC1, ABCB1, BRCA1 POLB 3618/4885ALDH1A1 112/4885NPSR1 3552/4885

“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.