SCHEMBL863313

SCHEMBL863313

CC(=S)Nc1ccccc1C

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
HPGD P15428 3/20 0.63
EPHX1 P07099 2/20 0.61
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
SIGMAR1 Q99720 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TAS2R38 P59533 1/20 0.52
POLB P06746 2/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL11854131 0.85 TAS2R38 (0.61) ALDH1A1HPGDEPHX1L3MBTL1LMNA
SCHEMBL29522293 0.84 L3MBTL1 (0.70) ALDH1A1HPGDEPHX1NPC1RAB9A
SCHEMBL1276741 0.84 L3MBTL1 (0.70) ALDH1A1HPGDEPHX1NPC1RAB9A
SCHEMBL9060375 0.82 NPC1 (0.59) ALDH1A1HPGDEPHX1NPC1RAB9A
SCHEMBL11125037 0.82 HPGD (0.63) ALDH1A1HPGDEPHX1NPC1RAB9A
SCHEMBL8421703 0.80 NPC1 (0.57) ALDH1A1HPGDEPHX1NPC1RAB9A
SCHEMBL194142 0.80 ALDH1A1 (0.66) ALDH1A1HPGDEPHX1NPC1RAB9A
SCHEMBL29998429 0.80 ALDH1A1 (0.66) ALDH1A1HPGDEPHX1NPC1RAB9A
SCHEMBL11310301 0.80 NPC1 (0.57) ALDH1A1HPGDEPHX1NPC1RAB9A
SCHEMBL9725058 0.78 ALDH1A1 (0.58) ALDH1A1HPGDEPHX1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154348-B1 RODENTIA ANIMAL REPELLENT SUMITOMO CHEMICAL CO (JP) 2022-07-27 EP disclosed
WO-2022086079-A1 DERIVATIVE OF SEMICARBAZONE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF 고려대학교 산학협력단 2022-04-28 WO disclosed
US-10264789-B2 Rodentia animal repellent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-04-23 US disclosed
US-10264789-B2 Rodentia animal repellent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-04-23 US disclosed
US-20170118984-A1 RODENTIA ANIMAL REPELLENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-04 US disclosed
US-20170118984-A1 RODENTIA ANIMAL REPELLENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-04 US disclosed
US-20170118984-A1 RODENTIA ANIMAL REPELLENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-04 US disclosed
EP-3154348-A1 RODENTIA ANIMAL REPELLENT Sumitomo Chemical Company, Limited (JP) 2017-04-19 EP disclosed
US-9624211-B2 Anti-cancer compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-18 US disclosed
US-20160145250-A1 ANTI-CANCER COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-05-26 US disclosed
WO-2015194676-A1 RODENTIA ANIMAL REPELLENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-23 WO disclosed
EP-2444085-B1 Diarylhydantoin compounds as androgen receptor antagonists for treatment of cancer UNIV CALIFORNIA (US) 2015-03-18 EP disclosed
EP-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 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 (5 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-10264789-B2 Rodentia animal repellent H1-4, HDAC11, HRH4 ALDH1A1 667/4885HPGD 4196/4885EPHX1 912/4885
US-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 ALDH1A1 2947/4885HPGD 2076/4885EPHX1 3900/4885
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 ALDH1A1 1223/4885HPGD 437/4885EPHX1 2721/4885
US-20160145250-A1 ANTI-CANCER COMPOUNDS SKP2, TP53, TEAD2 ALDH1A1 353/4885HPGD 2692/4885EPHX1 3375/4885
US-20170118984-A1 RODENTIA ANIMAL REPELLENT H1-4, HDAC11, HRH4 ALDH1A1 667/4885HPGD 4196/4885EPHX1 912/4885

“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.