SCHEMBL3160306

SCHEMBL3160306

c1ccc(CCCn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.71
TBXAS1 P24557 3/20 0.68
HMOX1 P09601 2/20 0.64
CYP1A2 P05177 1/20 0.62
POLB P06746 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62
CYP11B1 P15538 1/20 0.62
CYP11B2 P19099 1/20 0.62
QPCT Q16769 1/20 0.62
CYP4Z1 Q86W10 1/20 0.62
QPCTL Q9NXS2 1/20 0.62

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
Hydrochloric Acid SCHEMBL411704 0.98 CYP19A1 (0.69) CYP19A1TBXAS1HMOX1CYP1A2POLB
SCHEMBL6030852 0.95 HMOX1 (0.71) CYP19A1TBXAS1HMOX1CYP1A2POLB
SCHEMBL227437 0.94 CYP19A1 (0.63) CYP19A1TBXAS1HMOX1CYP1A2POLB
SCHEMBL230077 0.94 CYP19A1 (0.63) CYP19A1TBXAS1HMOX1CYP1A2POLB
SCHEMBL12045329 0.93 HMOX1 (0.69) CYP19A1TBXAS1HMOX1CYP1A2POLB
Hydrochloric Acid SCHEMBL9996042 0.93 HMOX1 (0.69) CYP19A1TBXAS1HMOX1CYP1A2POLB
Hydrochloric Acid SCHEMBL9996078 0.92 HMOX1 (0.68) CYP19A1TBXAS1HMOX1CYP1A2POLB
SCHEMBL409741 0.89 HMOX1 (0.72) CYP19A1TBXAS1HMOX1CYP1A2POLB
SCHEMBL7868470 0.88 QPCT (0.59) CYP19A1TBXAS1HMOX1QPCT
Hydrochloric Acid SCHEMBL7527357 0.87 HMOX1 (0.70) CYP19A1TBXAS1HMOX1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112908530-B Power distribution copper core wire and wire core stranding device 芜湖森普铁芯有限公司 2022-05-13 CN claimed
CN-107427758-A Utilize the separation of ion liquid solvent 切弗朗菲利浦化学公司 2017-12-01 CN claimed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP claimed
CN-117986553-A Thermotropic liquid crystal polyester compound and preparation method thereof 无锡学院 2024-05-07 CN disclosed
CN-115064758-A Preparation method of lithium battery with strong stability 江西永德立新能源有限公司 2022-09-16 CN disclosed
CN-111419840-B Application of candesartan cilexetil or pharmaceutically acceptable salt thereof in preparation of medicine for preventing and/or treating novel coronavirus pneumonia 中山大学 2022-02-01 CN disclosed
CN-112409265-A Diamine monomer containing bisoxazole unit and preparation method thereof 东华大学 2021-02-26 CN disclosed
EP-3687978-A1 PARA-PHENYLENEDIAMINE BASES WITH CATIONIC HETEROCYCLES, AND THE USE OF SAME FOR OXIDATION DYEING KERATIN FIBRES L'Oreal (FR) 2020-08-05 EP disclosed
WO-2020152206-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-07-30 WO disclosed
CN-109844069-A Utilize isobutane alkylation oil plant amylene 雪佛龙美国公司 2019-06-04 CN disclosed
CN-109642165-A Integrated coalescing system for separating liquid hydrocarbons from dispersed ionic liquid 雪佛龙美国公司 2019-04-16 CN disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 WO disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
CN-1415741-A Resistance gene of benzimidazole applied in chaetomium YANG QIAN (CN) 2003-05-07 CN disclosed
US-5604224-A NEURODEGENERATIVE DISORDERS STERLING WINTHROP INC. (US) 1997-02-18 US disclosed
US-5569655-A Substituted heterocyclylisoquinolinium salts and compositions and method of use thereof STERLING WINTHROP INC. (US) 1996-10-29 US disclosed
EP-0647641-A1 Substituted heterocyclylisoquinolinium salts and compositions and methods of usethereof STERLING WINTHROP INC. (US) 1995-04-12 EP disclosed
US-4431815-A CARDIOTONIC AND ANTISHOCK AGENTS; ANTICOAGULANTS BURROUGHS WELLCOME CO. (US) 1984-02-14 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-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CYP19A1 614/4885TBXAS1 1257/4885HMOX1 1/4885

“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.