SCHEMBL608937

SCHEMBL608937

Cc1ccc(N=C=O)c(-c2cc(C)ccc2N=C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
TRPA1 O75762 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ELANE P08246 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
ADRA2A P08913 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6761058 0.88 CYP3A4 (0.47) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL17847479 0.85 CYP3A4 (0.44) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL645833 0.84 CYP3A4 (0.50) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL30519851 0.84 CYP3A4 (0.50) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL28479108 0.83 CYP3A4 (0.40) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL2489721 0.83 CYP3A4 (0.48) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL627870 0.83 CYP3A4 (0.52) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL31115174 0.83 CYP3A4 (0.52) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL31115173 0.83 CYP3A4 (0.52) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL27900891 0.81 CYP3A4 (0.47) CYP3A4TRPA1TDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4522975-A Select NCO-terminated, uretdione group-containing polyurethane prepolymers and lignocellulosic composite materials prepared therefrom OLIN CORPORATION (US) 1985-06-11 US claimed
EP-0136772-A2 Impregnating oil for use as the dielectric medium of capacitors KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-04-10 EP claimed
EP-3752429-B1 PRESSURE PACKAGING WITH IMPROVED DROP RESISTANCE AND IMPACT RESISTANCE RESILUX NV (BE) 2024-04-03 EP disclosed
US-11548201-B2 Pressure packaging with improved drop resistance and impact resistance RESILUX N.V. (BE) 2023-01-10 US disclosed
US-20210031431-A1 PRESSURE PACKAGING WITH IMPROVED DROP RESISTANCE AND IMPACT RESISTANCE RESILUX N.V. (BE) 2021-02-04 US disclosed
EP-3752429-A1 PRESSURE PACKAGING WITH IMPROVED DROP RESISTANCE AND IMPACT RESISTANCE Resilux N.V. (BE) 2020-12-23 EP disclosed
US-20200048468-A1 POLYMERIC HAIR COLOR COMPOSITION MILBOCKER MICHAEL (US) 2020-02-13 US disclosed
EP-2172812-B1 Toner containing fluorescent nanoparticles XEROX CORP (US) 2017-05-31 EP disclosed
EP-1617994-B1 METHODS FOR THE ATTACHMENT OF MATERIALS TO POLYURETHANE FOAM, AND ARTICLES MADE USING THEM RYNEL INC (US) 2017-03-01 EP disclosed
EP-1559751-B1 Emulsion aggregation process for forming curable powder coating compositions, curable powder coating compositions and method for using the same XEROX CORP (US) 2016-11-16 EP disclosed
US-9372425-B2 Curable sublimation toner and sublimation transfer process using same XEROX CORPORATION (US) 2016-06-21 US disclosed
US-4034000-A Difunctional polymeric dienes THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-07-05 US disclosed
US-4016113-A AROMATIC AND ALKYL SUBSTITUTED AROMATIC ORTHO DIAMINES OLIN CORPORATION (US) 1977-04-05 US disclosed
US-4011181-A POLYURETHANE FOAMS CONTAINING STANNOUS CATECHOL DERIVATIVES OLIN CORPORATION (US) 1977-03-08 US disclosed
US-4008189-A Hydrophilic polyurethane foam OLIN CORPORATION (US) 1977-02-15 US disclosed
US-4008187-A TETRAHALOBUTYL PHOSPHATE OLIN CORPORATION (US) 1977-02-15 US disclosed
US-3976675-A Silicate-based surfactant composition OLIN CORPORATION (US) 1976-08-24 US disclosed
US-3968170-A REDUCE BURNING RATE OF POLYURETHANE FOAMS OLIN CORPORATION (US) 1976-07-06 US disclosed
US-3935133-A FLEXIBLE OLIN CORPORATION (US) 1976-01-27 US disclosed
US-3931066-A HIGH RESILIENCE POLYURETHANE FOAM OLIN CORPORATION (US) 1976-01-06 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 (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-20200048468-A1 POLYMERIC HAIR COLOR COMPOSITION IK, CUTA, INCENP CYP3A4 2852/4885TRPA1 1630/4885TDP1 3179/4885

“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.