SCHEMBL7742493

SCHEMBL7742493

CC(C)Nc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
RECQL P46063 1/20 0.45
PKM P14618 2/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14616180 0.83 HTT (0.47) HTTRECQLPKMALDH1A1KMT2A
SCHEMBL14017807 0.83 MAPT (0.39) HTTRECQLPKMKMT2APOLB
SCHEMBL14017786 0.81 LMNA (0.41) HTTALDH1A1KMT2APOLBMEN1
SCHEMBL7855939 0.81 CRHR1 (0.38) KMT2AMEN1GAA
SCHEMBL13718688 0.79 GSK3B (0.40) HTTALDH1A1MAPTTDP1GAA
SCHEMBL27308984 0.79 TRPV4 (0.38) RECQLTDP1SMN1; SMN2
SCHEMBL18417808 0.79 LMNA (0.36) HTTRECQLALDH1A1MAPTALOX12
SCHEMBL741149 0.79 KDM4E (0.46) HTTALDH1A1POLBMAPTALOX12
SCHEMBL21600907 0.79 IDO1 (0.43)
SCHEMBL2841149 0.79 KCNH3 (0.36) HTTRECQLPKMALDH1A1

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-1259119-A Substituted 3, 3-diamino-2-propenenitriles, their preparation and use NOVO NORDISK AS (DK) 2000-07-05 CN claimed
US-20230159498-A1 SMALL MOLECULES FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND CANCER ATHOS THERAPEUTICS, INC. 2023-05-25 US disclosed
US-11339170-B1 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-RE48635-E1 ERK inhibitors ELI LILLY AND COMPANY (US) 2021-07-13 US disclosed
US-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2020-05-14 US disclosed
EP-3237423-B1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS LILLY CO ELI (US) 2019-06-05 EP disclosed
US-9526733-B1 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-12-27 US disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 US disclosed
US-8420689-B2 Cannabinoid receptor ligands, pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2013-04-16 US disclosed
WO-2012135799-A1 SUBSTITUTED 3-(1H-BENZO{D}IMIDAZOL-2-YL)-1H-INDAZOLE-ANALOGS AS INHIBITORS OF THE PDK1 KINASE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-10-04 WO disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US disclosed
US-7205323-B2 Dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2007-04-17 US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
JP-2002145833-A METHOD FOR PRODUCING 2,4-DIFLUORO-N-ISOPROPYLANILINE HOKKO CHEM IND CO LTD 2002-05-22 JP disclosed
US-5817876-A ONE POT; REACTING AN NITROARENE WITH A CARBONYL COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
EP-0491968-B1 Process for the preparation of N-alkyl-fluoroanilines BAYER AG (DE) 1994-10-26 EP disclosed
EP-0491968-A1 Process for the preparation of N-alkyl-fluoroanilines BAYER AG (DE) 1992-07-01 EP 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 (7 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R HTT 267/4885RECQL 3953/4885PKM 2199/4885
US-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES UBQLN1, UBQLN2, PSMB1 HTT 141/4885RECQL 267/4885PKM 2065/4885
US-20230159498-A1 SMALL MOLECULES FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND CANCER SSB, HLA-DRB1, UACA HTT 3990/4885RECQL 174/4885PKM 4694/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 HTT 4744/4885RECQL 4678/4885PKM 1686/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 HTT 4277/4885RECQL 1590/4885PKM 1616/4885
US-11339170-B1 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 HTT 2222/4885RECQL 1539/4885PKM 577/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA HTT 2959/4885RECQL 1405/4885PKM 1979/4885

“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.