SCHEMBL256840

SCHEMBL256840

COCc1ccc(C(=O)c2cccs2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 5/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
HPGDS O60760 1/20 0.46
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP2C9 P11712 3/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 2/20 0.44
GMNN O75496 1/20 0.44
ABL1 P00519 1/20 0.44
TUBB4A P04350 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL256811 0.89 HPGD (0.50) HPGDNPC1RAB9ATSHRTP53
SCHEMBL15197222 0.86 HPGD (0.55) HPGDNPC1RAB9ATSHRTP53
SCHEMBL3696541 0.82 HPGDS (0.51) HPGDNPC1RAB9ATSHRTP53
SCHEMBL15197216 0.77 HPGD (0.55) HPGDNPC1RAB9ATSHRTP53
SCHEMBL11387336 0.77 PTGS1 (0.56) HPGDNPC1RAB9ATSHRTP53
SCHEMBL23635697 0.75 EPHX2 (0.49) RAB9ATSHRHTTALDH1A1LMNA
SCHEMBL10385403 0.74 ALOX15 (0.55) HPGDNPC1RAB9ATSHRTP53
SCHEMBL256851 0.74 ALDH1A1 (0.47) HPGDNPC1RAB9ATSHRSMN1; SMN2
SCHEMBL18645422 0.74 CNR2 (0.58) HPGDNPC1RAB9ATSHRTP53
Dimethylamine SCHEMBL9393138 0.73 PTGS1 (0.52) HPGDNPC1RAB9ATSHRTP53

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-8895552-B2 Cyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-25 US disclosed
US-20130217692-A1 CYCLIC AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-22 US disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 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-20130217692-A1 CYCLIC AMIDE DERIVATIVE HDAC10, H1-10, H1-0 HPGD 3711/4885NPC1 1990/4885RAB9A 361/4885

“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.