SCHEMBL16639672

SCHEMBL16639672

COc1ccc(NC(=S)Nc2ccc(C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.73
CYP2C19 P33261 2/20 0.73
ALDH1A1 P00352 6/20 0.72
HPGD P15428 2/20 0.72
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
MAOA P21397 2/20 0.71
MAOB P27338 2/20 0.71
MAPT P10636 6/20 0.67
KMT2A Q03164 5/20 0.67
MEN1 O00255 3/20 0.67
GAA P10253 3/20 0.67
HTT P42858 2/20 0.67
CYP3A4 P08684 1/20 0.61
NPSR1 Q6W5P4 1/20 0.60
LMNA P02545 1/20 0.58
KDM4E B2RXH2 1/20 0.58
STAT1 P42224 1/20 0.58

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
SCHEMBL8167087 0.92 CYP1A2 (0.85) CYP1A2CYP2C19ALDH1A1HPGDNPC1
SCHEMBL8614488 0.86 ALDH1A1 (0.64) CYP1A2CYP2C19ALDH1A1HPGDNPC1
SCHEMBL1276739 0.85 KMT2A (0.79) CYP1A2CYP2C19ALDH1A1HPGDNPC1
SCHEMBL18031168 0.85 CYP1A2 (0.73) CYP1A2CYP2C19ALDH1A1HPGDNPC1
SCHEMBL1259295 0.85 CYP1A2 (1.00) CYP1A2CYP2C19ALDH1A1HPGDNPC1
SCHEMBL19704549 0.84 ALDH1A1 (0.57) CYP1A2CYP2C19ALDH1A1HPGDNPC1
Hydrogen Sulfide SCHEMBL28246712 0.83 CYP1A2 (0.96) CYP1A2CYP2C19ALDH1A1HPGDNPC1
SCHEMBL5445748 0.83 NPC1 (0.73) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1884695 0.82 MAOB (0.73) CYP1A2CYP2C19ALDH1A1HPGDNPC1
SCHEMBL12177297 0.82 HPGD (1.00) CYP1A2CYP2C19ALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278905-B2 Production method for compound comprising amino group and/or hydroxyl group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-03-08 US disclosed
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-04-16 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-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP CA7, DAO, CA4 CYP1A2 99/4885CYP2C19 156/4885ALDH1A1 732/4885

“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.