SCHEMBL2321794

SCHEMBL2321794

CCC([NH])c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
MIF P14174 1/20 0.42
TAAR1 Q96RJ0 4/20 0.41
HTR2A P28223 4/20 0.41
HRH1 P35367 3/20 0.41
HKDC1 Q2TB90 1/20 0.41
TRPA1 O75762 1/20 0.41
AOC3 Q16853 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6619282 1.00 LMNA (0.52) LMNAMIFTAAR1HTR2AHRH1
SCHEMBL2588402 1.00 LMNA (0.52) LMNAMIFTAAR1HTR2AHRH1
SCHEMBL3248164 0.80 AOC3 (0.46) LMNATAAR1HTR2AHRH1AOC3
SCHEMBL11268892 0.77 ADRB2 (0.46) LMNAAOC3TDP1
SCHEMBL41745 0.77 POLB (0.45) LMNAHTR2AHRH1AOC3POLB
SCHEMBL54346 0.75 HTR2A (0.59) LMNAMIFTAAR1HTR2AHRH1
SCHEMBL3898638 0.74 LMNA (0.52) LMNAMIFTAAR1HTR2AHRH1
SCHEMBL7707874 0.74 TRPA1 (0.45) LMNATAAR1HTR2ATRPA1
SCHEMBL17816146 0.74 LMNA (0.52) LMNAMIFTAAR1HTR2AHRH1
SCHEMBL2911715 0.74 TRPA1 (0.45) LMNATAAR1HTR2ATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4268510-A DEMETHANIZATION, METABOLISM, RUMEN IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-19 US claimed
EP-0010348-A1 Heterocyclic trichloromethyl derivatives, process for their preparation and their use IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-30 EP claimed
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-9412487-B2 Silver-(conjugated compound) composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-09 US disclosed
US-20140001422-A1 COMPOSITION OF SILVER-CONJUGATED COMPOUND COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-02 US disclosed
EP-2497475-A1 Treatment of laminitis with platelet aggregation inhibitors Dussler, Sabine (DE) 2012-09-12 EP disclosed
EP-2478981-A1 SILVER-(CONJUGATED COMPOUND) COMPLEX Sumitomo Chemical Co., Ltd (JP) 2012-07-25 EP disclosed
US-20120168693-A1 SILVER-(CONJUGATED COMPOUND) COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-20110226622-A1 NOVEL CLEAR NATIVE ELECTROPHORESIS METHOD UTILIZING AROMATIC SULFONIC ACID COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-22 US disclosed
EP-2357469-A1 NOVEL CLEAR NATIVE ELECTROPHORESIS METHOD UTILIZING AROMATIC SULFONIC ACID COMPOUND Japan Science and Technology Agency (JP) 2011-08-17 EP disclosed
US-5288726-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation UBE INDUSTRIES LIMITED (JP) 1994-02-22 US disclosed
EP-0542411-A2 Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation Sankyo Company Limited (JP) 1993-05-19 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed
US-4728646-A ANTITHROMBOTICS DR. KARL THOMAE GMBH (DE) 1988-03-01 US disclosed
US-4690923-A ANTITHROMBOTICS KARL THOMAE GMBH (DE) 1987-09-01 US disclosed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 US disclosed
EP-0023559-B1 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-09-19 EP disclosed
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 US disclosed
EP-0023559-A1 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 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 (1 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-20110226622-A1 NOVEL CLEAR NATIVE ELECTROPHORESIS METHOD UTILIZING AROMATIC SULFONIC ACID COMPOUND IK, CHAMP1, RAB5IF LMNA 1378/4885MIF 4467/4885TAAR1 4689/4885

“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.