SCHEMBL678562

SCHEMBL678562

CC(C)(C)C(=O)CSc1nc2ccccc2s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.72
POLB P06746 3/20 0.71
RECQL P46063 2/20 0.71
APEX1 P27695 1/20 0.71
ALOX5 P09917 2/20 0.65
ALDH1A1 P00352 7/20 0.62
HPGD P15428 6/20 0.62
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
MAPK1 P28482 3/20 0.58
HSD17B10 Q99714 3/20 0.58
TSHR P16473 1/20 0.58
CYP1A2 P05177 3/20 0.58
CYP2D6 P10635 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
HIF1A Q16665 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 2/20 0.57

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
SCHEMBL13629728 0.84 MAPT (1.00) MAPTPOLBRECQLAPEX1ALOX5
SCHEMBL19385934 0.82 HPGD (0.69) MAPTPOLBRECQLAPEX1ALOX5
SCHEMBL16256656 0.82 MAPT (0.49) MAPTPOLBRECQLAPEX1ALOX5
SCHEMBL1286369 0.82 POLB (0.79) MAPTPOLBRECQLAPEX1ALOX5
Benzene SCHEMBL28322799 0.82 POLB (0.79) MAPTPOLBRECQLAPEX1ALOX5
SCHEMBL13461102 0.81 POLB (0.83) MAPTPOLBRECQLAPEX1ALOX5
SCHEMBL5401249 0.81 POLB (0.77) MAPTPOLBRECQLAPEX1ALOX5
SCHEMBL2261407 0.81 POLB (0.77) MAPTPOLBRECQLAPEX1ALOX5
SCHEMBL10759434 0.80 ALDH1A1 (0.74) MAPTPOLBRECQLAPEX1ALOX5
SCHEMBL12838814 0.80 MAPT (0.72) MAPTPOLBRECQLAPEX1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 MAPT 1494/4885POLB 2689/4885RECQL 1012/4885

“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.