SCHEMBL128712

SCHEMBL128712

CC([NH])c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADRA2A P08913 5/20 0.50
ADRA2B P18089 5/20 0.50
ADRA2C P18825 5/20 0.50
ADRA1A P35348 3/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1B P35368 2/20 0.50
CYP2A6 P11509 1/20 0.44
SLC6A4 P31645 1/20 0.43

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
SCHEMBL7871912 1.00 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL7655344 1.00 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL2321827 0.81 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL2998678 0.81 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL66681 0.81 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL18929758 0.80 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL1199042 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL9614515 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL9862021 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL11437166 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403398-B1 New thioformamide derivatives RHONE POULENC SANTE (FR) 1994-11-30 EP claimed
US-5276045-A Muscle relaxants RHONE-POULENC SANTE (FR) 1994-01-04 US claimed
US-5021439-A Senile dementia and memory dysfunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-04 US claimed
EP-0403398-A1 New thioformamide derivatives RHONE-POULENC SANTE (FR) 1990-12-19 EP claimed
JP-1261380-A None JP disclosed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 EP disclosed
EP-1352650-B1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES INST MED MOLECULAR DESIGN INC (JP) 2012-03-07 EP disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
US-5235091-A Reacting a phenol compound with a stilbene compound in presence of methanesulfonic acid TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-10 US disclosed
EP-0537954-A1 Process of preparing diphenylmethane derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-04-21 EP disclosed
EP-0232089-B1 QUINONE AMIDES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-03-13 EP disclosed
EP-0403398-A1 New thioformamide derivatives RHONE-POULENC SANTE (FR) 1990-12-19 EP disclosed
JP-H01261380-A SEPARATION OF OPTICAL ISOMER DAI ICHI SEIYAKU CO LTD 1989-10-18 JP disclosed
EP-0108813-B1 GRAFTED CHROMATOGRAPHIC FILLER AND METHOD FOR ANALYZING ENANTIOMER MIXTURE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-09-07 EP disclosed
US-4604207-A Packing materials for chromatographic use and a method for analysis of an enantiomer mixture using the same SUMITOMO CHEMICAL CO., LTD. (JP) 1986-08-05 US disclosed
EP-0108813-A1 GRAFTED CHROMATOGRAPHIC FILLER AND METHOD FOR ANALYZING ENANTIOMER MIXTURE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-23 EP 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 (2 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ALDH1A1 479/4885CYP1A2 1547/4885CYP2C9 2082/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 ALDH1A1 366/4885CYP1A2 855/4885CYP2C9 3114/4885

“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.