SCHEMBL157734

SCHEMBL157734

Fc1ccc(Oc2c[c]ccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.40
HSPB1 P04792 1/20 0.40
LTA4H P09960 6/20 0.39
FFAR1 O14842 2/20 0.39
EPHX2 P34913 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TSHR P16473 1/20 0.37
SCN4A P35499 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAOA P21397 2/20 0.34
NR1H2 P55055 1/20 0.34
BAX Q07812 1/20 0.34
GAA P10253 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 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
SCHEMBL27692978 0.98 SOS1 (0.39) SOS1HSPB1LTA4HFFAR1EPHX2
SCHEMBL28072263 0.85 LTA4H (0.55) SOS1LTA4HTSHRMEN1KMT2A
SCHEMBL8155454 0.85 LTA4H (0.43) LTA4HTSHRMEN1KMT2AALDH1A1
SCHEMBL61732 0.83 LTA4H (0.57) SOS1LTA4HTSHRMEN1KMT2A
SCHEMBL920377 0.82 VEGFA (0.33) LTA4HFFAR1FFAR4TSHR
SCHEMBL9450784 0.81 LTA4H (0.42) LTA4HTSHRMEN1KMT2AALDH1A1
SCHEMBL921761 0.81 KDM4E (0.39) FFAR1FFAR4ALDH1A1
SCHEMBL4909322 0.80 MAPT (0.47) LTA4HTSHRMEN1KMT2AALDH1A1
SCHEMBL920289 0.80 TEAD4 (0.47) LTA4HFFAR1EPHX2TSHRL3MBTL1
SCHEMBL919392 0.80 LTA4H (0.59) LTA4HTSHRL3MBTL1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US claimed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US claimed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US claimed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP claimed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US claimed
CN-103917094-A Glucosylceramide synthase inhibitors GENZYME CORP 2014-07-09 CN claimed
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP claimed
CN-103384668-A Novel compounds and compositions for inhibiting NAMPT FORMA THERAPEUTICS INC 2013-11-06 CN claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
CN-103119030-A Matrix metalloproteinase inhibitors RANBAXY LAB LTD 2013-05-22 CN claimed
EP-0058505-A1 Preparation of esters containing an alpha-cyano group in the alcohol portion of the esters FMC Corporation (US) 1982-08-25 EP claimed
US-4344960-A Combating insects and acarids with 3-(2-chloro-3,3,4,4,4-pentafluoro-1-butenyl)-2,2-dimethyl-cyclopropanecarboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1982-08-17 US claimed
US-4323685-A Preparation of esters FMC CORPORATION (US) 1982-04-06 US claimed
US-4322534-A Preparation of esters FMC CORPORATION (US) 1982-03-30 US claimed
US-4322535-A REACTION OF AN ACYL HALIDE, ALDEHYDE, AND CYANIDE SALT USING A CATALYTIC AMPHOTERIC SURFACTANT OF AN AMINO ALKYLSULFONATE FMC CORPORATION (US) 1982-03-30 US claimed
US-4318922-A INSECTICIDES, ACARICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US claimed
US-4317834-A Combating arthropods with fluorine-substituted spiro-carboxylic acid benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 1982-03-02 US claimed
EP-0043492-A2 1-Aryl-cyclopropane-1-carboxylic-acid esters, their preparation and their use as insecticides BAYER AG (DE) 1982-01-13 EP claimed
EP-0040742-A1 3-(Chloro-3,3,4,4,4-pentafluoro-1-butenyl)-2,2-dimethylcyclopropanecarboxylic acid esters, process for their preparation and their use in insecticides BAYER AG (DE) 1981-12-02 EP claimed
US-4279923-A Combating pests with 3-(2,3-dichloro-3,3-difluoro-prop-1-en-1-yl)-2,2-dimethyl-cyclo-propanecarboxylic acid fluoro-benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 1981-07-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 SOS1 4521/4885HSPB1 4246/4885LTA4H 2761/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 SOS1 4521/4885HSPB1 4246/4885LTA4H 2761/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 SOS1 4385/4885HSPB1 4446/4885LTA4H 2984/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 SOS1 4385/4885HSPB1 4446/4885LTA4H 2984/4885

“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.