SCHEMBL223540

SCHEMBL223540

O=[C]c1ncc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.43
KDM4E B2RXH2 1/20 0.42
GPR3 P46089 1/20 0.42
EGFR P00533 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
MGAM O43451 2/20 0.35
FDPS P14324 1/20 0.35
MAP3K5 Q99683 1/20 0.35
NCF1 P14598 1/20 0.34
NOS2 P35228 1/20 0.34
BACE1 P56817 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
GRM5 P41594 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
SCHEMBL6005051 0.79 KDM4E (0.42) CYP1A2KDM4EGPR3EGFRALDH1A1
SCHEMBL29947454 0.79 ALDH1A1 (0.43) CYP1A2KDM4EGPR3EGFRALDH1A1
SCHEMBL7548858 0.79 KDM4E (0.42) CYP1A2KDM4EGPR3EGFRALDH1A1
SCHEMBL30824520 0.79 KDM4E (0.42) CYP1A2KDM4EGPR3EGFRALDH1A1
SCHEMBL2773608 0.79 KDM4E (0.42) CYP1A2KDM4EGPR3EGFRALDH1A1
SCHEMBL1996212 0.79 ALDH1A1 (0.43) CYP1A2KDM4EGPR3EGFRALDH1A1
SCHEMBL32679237 0.75 GRM5 (0.45) CYP1A2KDM4EGPR3EGFRALDH1A1
SCHEMBL32679239 0.75 GRM5 (0.45) CYP1A2KDM4EGPR3EGFRALDH1A1
SCHEMBL32679238 0.75 GRM5 (0.45) CYP1A2KDM4EGPR3EGFRALDH1A1
SCHEMBL194377 0.72 ALDH1A1 (0.42) KDM4EALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459415-B1 Lubricant for thin film storage media SEAGATE TECHNOLOGY LLC (US) 2008-12-02 US claimed
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US claimed
US-20030138670-A1 Lubricant for thin film storage media SEAGATE TECHNOLOGY LLC 2003-07-24 US claimed
US-5889025-A Antidiabetic compounds having hypolipidaemic, antihypertensive properties, process for their preparation and pharmaceutical compositions containing them REDDY'S RESEARCH FOUNDATION (IN) 1999-03-30 US claimed
EP-4371979-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2024-05-22 EP disclosed
CN-117693500-A Carboxamide derivative and agricultural/horticultural plant disease control agent 组合化学工业株式会社 2024-03-12 CN disclosed
CN-110121793-B Organic light emitting device and composition of organic material layer for organic light emitting device LT素材株式会社 2023-03-31 CN disclosed
WO-2023286855-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2023-01-19 WO disclosed
CN-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 CN disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
EP-2842944-B1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND NIPPON SODA CO (JP) 2017-03-15 EP disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
US-20030138670-A1 Lubricant for thin film storage media SEAGATE TECHNOLOGY LLC 2003-07-24 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 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-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CYP1A2 322/4885KDM4E 1309/4885GPR3 517/4885

“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.