SCHEMBL2416561

SCHEMBL2416561

S=C1[C]=CC=CC1c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
ALOX12 P18054 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL432268 0.81 RAB9A (0.32) RAB9A
SCHEMBL7113519 0.79 KDM4E (0.39) KDM4ECYP1A2CYP2D6
SCHEMBL17536794 0.77 MEN1 (0.30)
SCHEMBL432707 0.74 KDM1A (0.34) KDM4E
SCHEMBL9690018 0.72
SCHEMBL6770040 0.69 SLC6A4 (0.36)
SCHEMBL2661683 0.68 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EPKMALOX12
SCHEMBL7564380 0.63 RECQL (0.33) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL14367899 0.61 TSHR (0.33) RAB9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4938 0.60 NOS1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275076-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE BOSTON BIOMEDICAL, INC. 2014-09-18 US claimed
US-7666871-B2 3-Methyl-6-(4-{5-methyl-4-[2-(2-methyl-pyrrolidin-1-yl)-ethyl]-oxazol-2-yl}-phenyl)-pyridazine; for treatment of obesity, cognitive deficiencies, narcolepsy ELI LILLY AND COMPANY (US) 2010-02-23 US claimed
CN-100522957-C Sulfonium salt photinitiators and use thereof NAT STARCH CHEM INVEST (US) 2009-08-05 CN claimed
EP-1786790-B1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-06-03 EP claimed
CN-100474110-C Selected acid generators and their use in radiation-sensitive element imaging processes EASTMAN KODAK CO (US) 2009-04-01 CN claimed
US-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses ELI LILLY AND COMPANY 2007-08-23 US claimed
EP-1786790-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-23 EP claimed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 WO claimed
CN-1671387-A Aryl substituted hydantoin compounds and their use as sodium channel blockers EURO CELTIQUE SA (LU) 2005-09-21 CN claimed
CN-1671672-A Aryl-substituted benzimidazoles and their use as sodium channel blockers EURO CELTIQUE SA (LU) 2005-09-21 CN claimed
CN-1637052-A Sulfonium salt photinitiators and use thereof NAT STARCH CHEM INVEST (US) 2005-07-13 CN claimed
WO-2002074742-A2 CDK-INHIBITORY INDIRUBIN DERIVATIVES HAVING AN INCREASED SOLUBILITY SCHERING AKTIENGESELLSCHAFT (DE) 2002-09-26 WO claimed
US-20210240077-A1 PHOTOSENSITIVE COMPOSITIONS, PREPARATION METHODS THEREOF, AND QUANTUM DOT POLYMER COMPOSITE PATTERN PRODUCED THEREFROM SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-08-05 US disclosed
US-10990006-B2 Photosensitive compositions, preparation methods thereof, and quantum dot polymer composite pattern produced therefrom SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-04-27 US disclosed
CN-105452398-B Composition for ink, ink jet recording method and tingle body using this composition for ink 日本化药株式会社 2018-07-10 CN disclosed
US-20170176854-A1 PHOTOSENSITIVE COMPOSITIONS, PREPARATION METHODS THEREOF, AND QUANTUM DOT POLYMER COMPOSITE PATTERN PRODUCED THEREFROM SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
EP-1042290-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-10-11 EP disclosed
WO-2000050396-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-31 WO disclosed
CN-1254288-A Condensation polymer composition for preventing pregnancy PROCEPT INC (US) 2000-05-24 CN disclosed
WO-1999025687-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 1999-05-27 WO 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-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses HCRTR1, HRH3, HCRTR2 ALDH1A1 1633/4885HPGD 1930/4885KDM4E 486/4885
US-20140275076-A1 HETEROCYCLIC SUBSTITUTED-3-HETEROARYLIDENYL-2-INDOLINONE DERIVATIVE CYP2C9, DHRS9, HTR3B ALDH1A1 385/4885HPGD 474/4885KDM4E 1268/4885

“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.