SCHEMBL3602286

SCHEMBL3602286

CCOc1ccccc1NC(N)=S

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
GAA P10253 1/20 0.61
LMNA P02545 3/20 0.60
MCL1 Q07820 1/20 0.60
MAPK1 P28482 1/20 0.57
ALOX12 P18054 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 1/20 0.55
HTT P42858 1/20 0.55
POLB P06746 1/20 0.54
KCNH2 Q12809 1/20 0.54
MEN1 O00255 1/20 0.54
PKM P14618 1/20 0.53

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
SCHEMBL30356248 1.00 ALDH1A1 (0.63) ALDH1A1GAALMNAMCL1MAPK1
SCHEMBL16127143 0.87 ALDH1A1 (0.62) ALDH1A1GAALMNAMCL1KMT2A
SCHEMBL10393407 0.86 ALDH1A1 (0.82) ALDH1A1GAALMNAMAPK1ALOX12
SCHEMBL1791238 0.84 GAA (0.73) ALDH1A1GAALMNAMCL1TDP1
SCHEMBL31527868 0.84 GAA (0.73) ALDH1A1GAALMNAMCL1TDP1
SCHEMBL10396561 0.84 KMT2A (0.53) ALDH1A1GAALMNAMCL1KMT2A
SCHEMBL5146313 0.83 GAA (0.61) ALDH1A1GAALMNAMCL1TDP1
SCHEMBL29654196 0.80 ALDH1A1 (0.64) ALDH1A1GAALMNAALOX12KMT2A
SCHEMBL1396138 0.80 ALDH1A1 (0.64) ALDH1A1GAALMNAALOX12KMT2A
SCHEMBL744526 0.80 GAA (0.67) ALDH1A1GAALMNAMCL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2695970-B1 FINISHING AGENT FOR TRIVALENT CHROMIUM CHEMICAL CONVERSION COATING FILM, AND METHOD FOR FINISHING BLACK TRIVALENT CHROMIUM CHEMICAL CONVERSION COATING FILM DIPSOL CHEM (JP) 2020-03-04 EP disclosed
EP-2672819-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-11-29 EP disclosed
US-9567453-B2 Finishing agent for trivalent chromium chemical conversion coating film, and method for finishing black trivalent chromium chemical conversion coating film DIPSOL CHEMICALS CO., LTD. (JP) 2017-02-14 US disclosed
US-9107413-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2015-08-18 US disclosed
US-9018388-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-9018136-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-8916183-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-12-23 US disclosed
US-20140315721-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-23 US disclosed
WO-2014152213-A2 COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS DISCOVERYBIOMED, INC. (US) 2014-09-25 WO disclosed
US-8815922-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-08-26 US disclosed
WO-2012109125-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-08-16 WO disclosed
US-20120202687-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC 2012-08-09 US disclosed
US-20100022592-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-28 US disclosed
US-20100022592-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-28 US disclosed
EP-2121675-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008103500-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-08-28 WO disclosed
WO-2008103500-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-08-28 WO disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
US-4252963-A CYCLIZATION OF PHENYLTHIOUREAS WITH THIONYL CHLORIDE HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-24 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-20140315721-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO CYP19A1, CYP1A1, AR ALDH1A1 588/4885GAA 3750/4885LMNA 3954/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 ALDH1A1 2069/4885GAA 266/4885LMNA 2932/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ALDH1A1 2036/4885GAA 484/4885LMNA 3391/4885
US-20100022592-A1 THIAZOLE DERIVATIVES AS MODULATORS OF G PROTEIN-COUPLED RECEPTORS GPR119, GPR65, GPR180 ALDH1A1 1885/4885GAA 2917/4885LMNA 4346/4885
US-20120202687-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO CYP19A1, CYP1A1, AR ALDH1A1 588/4885GAA 3750/4885LMNA 3954/4885

“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.