SCHEMBL13155877

SCHEMBL13155877

Nc1ccc(C(=O)N2CCCCC2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.62
ALDH1A1 P00352 7/20 0.62
POLB P06746 2/20 0.62
YEATS4 O95619 1/20 0.57
L3MBTL3 Q96JM7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.50
MAPT P10636 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD11B1 P28845 1/20 0.44
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
GRM5 P41594 1/20 0.43
CA12 O43570 1/20 0.42

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
SCHEMBL30340462 0.98 HPGD (0.64) HPGDALDH1A1POLBYEATS4L3MBTL3
SCHEMBL4111861 0.83 HPGD (0.77) HPGDALDH1A1POLBL3MBTL1GAA
SCHEMBL20460413 0.79 HPGD (0.96) HPGDALDH1A1POLBYEATS4L3MBTL3
SCHEMBL3254670 0.79 HPGD (0.62) HPGDALDH1A1POLBYEATS4L3MBTL3
SCHEMBL3196789 0.79 HPGD (0.96) HPGDALDH1A1POLBYEATS4L3MBTL3
SCHEMBL24188552 0.78 HPGD (0.57) HPGDALDH1A1POLBYEATS4L3MBTL3
SCHEMBL2637597 0.78 HPGD (0.66) HPGDALDH1A1POLBYEATS4L3MBTL3
SCHEMBL7256047 0.78 HPGD (0.53) HPGDALDH1A1POLBYEATS4L3MBTL3
SCHEMBL13280088 0.78 KDM4E (0.50) HPGDALDH1A1POLBMAPTHRH3
SCHEMBL3240583 0.77 HPGD (0.60) HPGDALDH1A1POLBYEATS4L3MBTL3

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-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 US disclosed
US-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION 2010-09-30 US disclosed
WO-2008156614-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-12-24 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-20100249030-A1 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT AURKC, AURKA, AURKB HPGD 4006/4885ALDH1A1 2905/4885POLB 802/4885

“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.