SCHEMBL370117

SCHEMBL370117

C=CCN(N)CCCCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 1/20 0.39
DNM1 Q05193 3/20 0.37
FAAH O00519 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
THRB P10828 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL4095968 1.00 TSHR (0.41) TSHRALDH1A1DNM1FAAHZDHHC20
SCHEMBL11152223 0.89 TSHR (0.47) TSHRFAAH
SCHEMBL5438295 0.83
SCHEMBL28133084 0.82
SCHEMBL9615946 0.79 TSHR (0.37) TSHRALDH1A1
SCHEMBL88377 0.77 DNM1 (0.50) TSHRALDH1A1DNM1THRBCA12
SCHEMBL1798083 0.77 DNM1 (0.50) TSHRALDH1A1DNM1THRBCA12
SCHEMBL788690 0.76 TSHR (0.44) TSHRALDH1A1DNM1FAAHZDHHC20
SCHEMBL4140633 0.76 TSHR (0.44) TSHRALDH1A1DNM1FAAHZDHHC20
SCHEMBL14812559 0.76 TSHR (0.44) TSHRALDH1A1DNM1FAAHZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105463878-B A kind of dyeing of denim yarn/ready-made clothes or Staining Method With Agnor Technique 常州大学 2017-12-01 CN claimed
CN-105463878-A Dyeing or topping method for jeans yarns/garments UNIV CHANGZHOU 2016-04-06 CN claimed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US claimed
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US claimed
EP-2892344-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
EP-2892345-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
WO-2014037340-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
WO-2014037313-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
CN-102619091-B Spinning finish for polyvinyl alcohol fiber for toughening cement concrete SHANGHAI ROYANG INNOVATIVE MATERIAL TECHNOLOGIES CO LTD 2013-07-31 CN claimed
CN-102619091-A Spinning finish for polyvinyl alcohol fiber for toughening cement concrete SHANGHAI ROYANG INNOVATIVE MATERIAL TECHNOLOGIES CO LTD 2012-08-01 CN claimed
US-20070129392-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS, INC. 2007-06-07 US claimed
US-20070078189-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS (US) 2007-04-05 US claimed
EP-1636160-A4 NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2006-09-27 EP claimed
WO-2006041921-A2 PREPARATION AND USES OF RHODANINE DERIVATIVES AUSPEX PHARMACEUTICALS, INC. (US) 2006-04-20 WO claimed
EP-1636160-A2 NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS Auspex Pharmaceuticals (US) 2006-03-22 EP claimed
US-20060014800-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS, INC. 2006-01-19 US claimed
WO-2005108338-A1 NOVEL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2005-11-17 WO claimed
CN-1219115-C Color-fixing polypropylene fiber dyed-yarn preparing method UNIV HUANAN TECHNOLOGY (CN) 2005-09-14 CN claimed
WO-2005000233-A2 NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2005-01-06 WO claimed
CN-1528960-A Color-fixing polypropylene fiber dyed-yarn preparing method 华南理工大学 2004-09-15 CN claimed

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-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 TSHR 1544/4885ALDH1A1 469/4885DNM1 4510/4885
US-20070078189-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders GPR119, IGF1R, CCNE2 TSHR 638/4885ALDH1A1 463/4885DNM1 4523/4885
US-20060014800-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders IGF1R, INSR, MC1R TSHR 492/4885ALDH1A1 1076/4885DNM1 4277/4885
US-20070129392-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders IGF1R, INSR, BRCA1 TSHR 600/4885ALDH1A1 826/4885DNM1 4239/4885
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS ABAT, AAK1, AGXT TSHR 2283/4885ALDH1A1 2355/4885DNM1 4295/4885

“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.