SCHEMBL411739

SCHEMBL411739

Cc1ccc2cc[c]nc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.57
ALDH1A1 P00352 6/20 0.47
CYP2A6 P11509 3/20 0.42
NQO2 P16083 1/20 0.42
NCK1 P16333 1/20 0.38
BACE1 P56817 1/20 0.38
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
ESR1 P03372 1/20 0.37
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL407633 0.83 CYP1A2 (0.55) CYP1A2ALDH1A1CYP2A6NQO2NCK1
SCHEMBL208857 0.75 BACE1 (0.48) CYP1A2ALDH1A1CYP2A6BACE1KMT2A
SCHEMBL209493 0.75 KDM4E (0.38) CYP1A2ALDH1A1CYP2A6BACE1KMT2A
SCHEMBL207987 0.75 NR4A2 (0.47) CYP1A2ALDH1A1CYP2A6KMT2ANPSR1
SCHEMBL3384257 0.75 ALDH1A1 (0.47) CYP1A2ALDH1A1KMT2ATDP1ESR1
SCHEMBL3384607 0.75 ALDH1A1 (0.47) CYP1A2ALDH1A1CYP2A6NQO2KMT2A
SCHEMBL5745559 0.75 CYP1A2 (0.42) CYP1A2ALDH1A1CYP2A6KMT2ATDP1
SCHEMBL31261751 0.73 CYP1A2 (1.00) CYP1A2ALDH1A1CYP2A6NQO2KDM4E
SCHEMBL30081469 0.73 CYP1A2 (1.00) CYP1A2ALDH1A1CYP2A6NQO2KDM4E
SCHEMBL951793 0.73 CYP1A2 (1.00) CYP1A2ALDH1A1CYP2A6NQO2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US claimed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US claimed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 EP claimed
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US claimed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP claimed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-1943281-B1 HYBRID CATALYST SYSTEMS SUPPORTED ON MAGNESIUM HALIDE BASELL POLYOLEFINE GMBH (DE) 2017-09-20 EP disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
EP-1824888-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2017-01-18 EP disclosed
EP-2222720-B1 MONO-HYDROINDACENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2016-02-10 EP disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-6335345-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; OBESITY AND BULIMIA TREATMENT; CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, METABOLIC AND EATING DISORDERS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-01-01 US disclosed
US-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 US disclosed
WO-2001014376-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-03-01 WO disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
US-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 US disclosed
US-4912115-A Cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1990-03-27 US disclosed
US-4831027-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1989-05-16 US disclosed
US-4327213-A ANTIULCER AGENTS ACF Chemiefarma VA (NL) 1982-04-27 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 (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-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S CYP1A2 317/4885ALDH1A1 847/4885CYP2A6 171/4885
US-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S CYP1A2 681/4885ALDH1A1 921/4885CYP2A6 772/4885

“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.