SCHEMBL4591123

SCHEMBL4591123

Fc1ccc(-c2c[c]ccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
TGFBR1 P36897 2/20 0.38
MAPK14 Q16539 2/20 0.38
TOP1 P11387 2/20 0.37
FYN P06241 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 1/20 0.36
AR P10275 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
FLT3 P36888 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL231750 0.81 ASIC3 (0.45) RAB9ANPC1MEN1KMT2AATM
SCHEMBL4599566 0.80 RAB9A (0.40) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5534502 0.80 KMT2A (0.40) RAB9ANPC1MEN1KMT2ATGFBR1
SCHEMBL4590373 0.80 L3MBTL1 (0.42) RAB9ANPC1MEN1KMT2ATGFBR1
SCHEMBL9699617 0.80 MAPT (0.47) RAB9ANPC1MEN1KMT2AATM
SCHEMBL2750917 0.80 GRM5 (0.38)
SCHEMBL2753679 0.79 RAB9A (0.47) RAB9ANPC1TGFBR1TOP1ALDH1A1
SCHEMBL16719564 0.79 KMO (0.45) MEN1KMT2AFYNALDH1A1KDM4E
SCHEMBL2184027 0.79 KIF11 (0.47) MEN1KMT2ATGFBR1TOP1KDM4E
SCHEMBL606773 0.79 LMNA (0.42) RAB9ANPC1KMT2AFYNALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284644-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2021-09-16 US disclosed
EP-3747888-A1 NITROGENATED HETEROCYCLIC AMIDE COMPOUND, AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco Inc. (JP) 2020-12-09 EP disclosed
US-10800784-B2 Nitrogen-containing heterocyclic amide compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2020-10-13 US disclosed
WO-2019151274-A1 NITROGENATED HETEROCYCLIC AMIDE COMPOUND, AND USE THEREOF FOR MEDICAL PURPOSES 日本たばこ産業株式会社 2019-08-08 WO disclosed
CN-108290881-A Therapeutic compounds and methods of use thereof 健泰科生物技术公司 2018-07-17 CN disclosed
EP-1909775-A2 FORMULATION OF RADIOPROTECTIVE ALPHA, BETA UNSATURATED ARYL SULFONES Onconova Therapeutics, Inc. (US) 2008-04-16 EP disclosed
WO-2007016201-A2 FORMULATION OF RADIOPROTECTIVE α, β UNSATURATED ARYL SULFONES ONCONOVA THERAPEUTICS, INC. (US) 2007-02-08 WO disclosed
US-5145858-A Antiinflammatory SMITHKLINE BEECHAM CORP. (US) 1992-09-08 US disclosed
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed
US-5002941-A Antiarthritic agents, arachidonic acid metabolism SMITHKLINE BEECHAM CORPORATION (US) 1991-03-26 US disclosed
CN-1032011-A Pyrrolo-imidazoles and imidazopyridine and application thereof SMITHKLINE BECKMAN CORP (US) 1989-03-29 CN disclosed
US-4780470-A WITH 4,5-DIALKYL-2(SUBSTITUTED)IMIDAZOLE SMITHKLINE BECKMAN CORPORATION (US) 1988-10-25 US disclosed
US-4751310-A Inhibition of the 5-lipoxygenase pathway SMITHKLINE BECKMAN CORPORATION (US) 1988-06-14 US disclosed
US-4719218-A ENZYME INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1988-01-12 US disclosed
CN-86108538-A The inhibition of 5-lipoxygenase pathway 1987-07-29 CN 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-10800784-B2 Nitrogen-containing heterocyclic amide compound and pharmaceutical use thereof IDH2, PC, FH RAB9A 2831/4885NPC1 428/4885MEN1 1012/4885
US-20210284644-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF IDH2, PC, FH RAB9A 2831/4885NPC1 428/4885MEN1 1012/4885

“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.