SCHEMBL252674

SCHEMBL252674

C=CCN(CC=C)c1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
ALOX5 P09917 1/20 0.31
CHKA P35790 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
SCHEMBL2898718 0.81 CYP1A2 (0.34) CYP1A2ALDH1A1
SCHEMBL8672253 0.81 PYCR1 (0.33) CYP1A2
SCHEMBL4047345 0.79 ESR1 (0.36) CYP1A2
SCHEMBL8588108 0.78
SCHEMBL11792735 0.77 C5AR1 (0.32)
Hydrochloric Acid SCHEMBL7648065 0.74
SCHEMBL11673812 0.74 CYP1A2 (0.36) CYP1A2ALDH1A1LMNA
SCHEMBL350461 0.72 TSHR (0.38) CYP1A2ALDH1A1LMNA
SCHEMBL4222206 0.72
SCHEMBL3435320 0.71 CHKA (0.36) CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US claimed
EP-4232040-A1 COMBINATION THERAPY OF PD-1 AXIS BINDING ANTAGONISTS AND LRRK2 INHITIBORS F. Hoffmann-La Roche AG (CH) 2023-08-30 EP claimed
US-11369584-B2 Andrographolide derivatives and method of using the same for treatment or prevention of fibrosis ZHENGZHOU UNIVERSITY (CN) 2022-06-28 US claimed
WO-2022084210-A1 COMBINATION THERAPY OF PD-1 AXIS BINDING ANTAGONISTS AND LRRK2 INHITIBORS F. HOFFMANN-LA ROCHE AG (CH) 2022-04-28 WO claimed
EP-3758706-A2 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME The Regents Of The University Of Colorado (US) 2021-01-06 EP claimed
US-20200405723-A1 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2020-12-31 US claimed
EP-3608313-A1 15-IDENE-14-DEOXY-11,12-DEHYDROANDROGRAPHOLIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARING ANTI-FIBROSIS DRUGS Zhengzhou University (CN) 2020-02-12 EP claimed
US-20200030280-A1 ANDROGRAPHOLIDE DERIVATIVES AND METHOD OF USING THE SAME FOR TREATMENT OR PREVENTION OF FIBROSIS ZHENGZHOU UNIVERSITY (CN) 2020-01-30 US claimed
CN-106279133-A Organic second-order nonlinear optical chromophore, synthetic method and application 中国科学院理化技术研究所 2017-01-04 CN claimed
US-9074129-B2 Mechanochromic luminescent difluoroboron beta-diketonates UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-07-07 US claimed
US-4251609-A Isoquinolinedione photoelectrophoretic materials for imaging processes EASTMAN KODAK COMPANY (US) 1981-02-17 US claimed
EP-0010652-A1 4-Chlorooxazoles, method for their preparation and their use in photoconductive coatings in electrophotography and as optical brighteners HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-14 EP claimed
US-4192677-A ELECTROGRAPHIC CHARGE TRANSFER COMPOUNDS RICOH CO., LTD. (JP) 1980-03-11 US claimed
US-4160671-A ESTER OR AMIDE OF AN O-NAPHTHOQUINONE DIAZIDE SULFONIC ACID, ORGANIC DYE, HALOGEN-CONTAINING DERIVATIVE OF PYRONE OR TRIAZINE HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-10 US claimed
US-4145215-A PHOTOCONDUCTIVE PIGMENTS EASTMAN KODAK COMPANY (US) 1979-03-20 US claimed
US-4061637-A CNS, CARDIOVASCULAR, ANTIINFLAMMATORY, ADRENOLYTIC, ANTIULCER ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1977-12-06 US claimed
US-3967965-A HETEROCYCLIC UREAS FUJI PHOTO FILM CO., LTD. (JA) 1976-07-06 US claimed
US-3944417-A Process for the electrophotographic production of printing plates HOECHST AKTIENGESELLSCHAFT (DT) 1976-03-16 US claimed
US-3941829-A PESTICIDE CIBA-GEIGY CORPORATION (US) 1976-03-02 US claimed
US-3935250-A PESTICIDE CIBA-GEIGY CORPORATION (US) 1976-01-27 US 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 (3 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-20200030280-A1 ANDROGRAPHOLIDE DERIVATIVES AND METHOD OF USING THE SAME FOR TREATMENT OR PREVENTION OF FIBROSIS MMP1, CYP27A1, PYGL CYP1A2 170/4885ALDH1A1 356/4885LMNA 1287/4885
US-20200405723-A1 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME WEE1, WEE2, NME1 CYP1A2 4168/4885ALDH1A1 3933/4885LMNA 1947/4885
US-11369584-B2 Andrographolide derivatives and method of using the same for treatment or prevention of fibrosis MMP1, CYP27A1, PYGL CYP1A2 170/4885ALDH1A1 356/4885LMNA 1287/4885

“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.