SCHEMBL1706732

SCHEMBL1706732

Cc1ccc(CN=C=S)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 12/20 0.63
TRPA1 O75762 3/20 0.63
ALDH1A1 P00352 1/20 0.61
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.61
IDO1 P14902 1/20 0.41
C3AR1 Q16581 1/20 0.40
NAAA Q02083 1/20 0.38
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP2E1 P05181 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2A13 Q16696 1/20 0.38
EPAS1 Q99814 1/20 0.38
AGXT P21549 2/20 0.37
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2141861 0.88 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL9610849 0.82 MIF (0.63) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8763362 0.81 MIF (0.68) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL28396661 0.81 IDO1 (0.44) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL436823 0.79 IDO1 (0.42) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL3364900 0.78 MIF (0.66) MIFTRPA1C3AR1NAAACYP2A6
SCHEMBL19987607 0.77 IDO1 (0.41) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL895951 0.77 MIF (0.64) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1457562 0.77 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL17049997 0.77 MIF (0.50) MIFTRPA1ALDH1A1CYP3A4HPGD

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118574647-A Detection and localization of internal bleeding 范德堡大学 2024-08-30 CN disclosed
WO-2023210570-A1 PLANT STOMATAL OPENING REGULATOR 国立大学法人東海国立大学機構 2023-11-02 WO disclosed
US-10029997-B2 Compositions and methods for treating cancers CEDARS-SINAI MEDICAL CENTER (US) 2018-07-24 US disclosed
US-9656991-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2017-05-23 US disclosed
US-20170121297-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS CEDARS-SINAI MEDICAL CENTER (US) 2017-05-04 US disclosed
EP-2865670-B1 Thiourea derivatives as glutaminyl cyclase inhibitors PROBIODRUG AG (DE) 2017-01-11 EP disclosed
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS TALALAY, PAUL 2016-02-11 US disclosed
US-9234256-B2 Scavenger supports and the use thereof in a process for the extraction of metals JOHNSON MATTHEY FINLAND OY (FI) 2016-01-12 US disclosed
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 US disclosed
EP-2865670-A1 Thiourea derivatives as glutaminyl cyclase inhibitors Probiodrug AG (DE) 2015-04-29 EP disclosed
US-6720352-B1 HETEROCYCLIC ALDEHYDES; ISOTHIOCYANATES; FURFURAL; METHYL ISOTHIOCYANTATE; ALLYL ISOTHIOCYANATE; CROPS ILLOVO SUGAR LIMITED (ZA) 2004-04-13 US disclosed
CN-1443179-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2003-09-17 CN disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO disclosed
CN-1356871-A Compositions and methods for controlling nematodes ILLOVO SUGAR LTD (ZA) 2002-07-03 CN disclosed
EP-1180933-A1 COMPOSITIONS AND PROCESS FOR NEMATODE CONTROL Illovo Sugar Limited (ZA) 2002-02-27 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000067577-A1 COMPOSITIONS AND PROCESS FOR NEMATODE CONTROL ILLOVO SUGAR LIMITED (ZA) 2000-11-16 WO disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
WO-1994026715-A1 AMIDINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-11-24 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 (3 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-20170121297-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS GSK3B, HDAC1, HDAC3 MIF 1484/4885TRPA1 4733/4885ALDH1A1 766/4885
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 MIF 737/4885TRPA1 388/4885ALDH1A1 658/4885
US-10029997-B2 Compositions and methods for treating cancers HDAC3, HDAC1, GSK3B MIF 1150/4885TRPA1 4757/4885ALDH1A1 907/4885

“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.