SCHEMBL160012

SCHEMBL160012

CCCCOc1cc[c]cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
TDP1 Q9NUW8 3/20 0.39
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
LTA4H P09960 2/20 0.34
CYP2D6 P10635 2/20 0.34
FAAH O00519 2/20 0.34
ESR1 P03372 1/20 0.34
MCHR1 Q99705 1/20 0.33
TLR8 Q9NR97 1/20 0.33
NR5A1 Q13285 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL27501834 0.95 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL27294182 0.93 L3MBTL1 (0.44) L3MBTL1TDP1THRATHRBFAAH
SCHEMBL1228883 0.93 L3MBTL1 (0.44) L3MBTL1TDP1THRATHRBFAAH
SCHEMBL9699956 0.93 L3MBTL1 (0.44) L3MBTL1TDP1THRATHRBFAAH
SCHEMBL9699861 0.93 L3MBTL1 (0.44) L3MBTL1TDP1THRATHRBFAAH
SCHEMBL162033 0.91 L3MBTL1 (0.40) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL161774 0.83 L3MBTL1 (0.46) L3MBTL1CYP1A2CYP2C19TDP1GLA
SCHEMBL677792 0.83 CYP1A2 (0.44) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL21268193 0.82 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL11125422 0.81 CYP2C9 (0.43) CYP1A2CYP2C19CYP2C9CYP19A1THRA

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 33 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
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US 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
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 US disclosed
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 US disclosed
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 US disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
CN-102307838-A Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition using this and liquid crystal display device JNC CORP 2012-01-04 CN disclosed
WO-2011022348-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2011-02-24 WO disclosed
EP-2254415-A1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-12-01 EP disclosed
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase JANSSEN PHARMACEUTICA NV (BE) 2009-10-22 US disclosed
CN-101563089-A Boronic acids and esters as inhibitors of fatty amide hydrolase INFINITY DISCOVERY INC (US) 2009-10-21 CN disclosed
WO-2009105220-A1 ARYL-HYDROXYETHYLAMINO-PYRIMIDINES AND TRIAZINES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-27 WO disclosed
CN-1035107-A FLUORINATED OLIGOPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 1989-08-30 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 (9 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 L3MBTL1 3563/4885CYP1A2 2270/4885CYP2C19 2860/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 L3MBTL1 2990/4885CYP1A2 1024/4885CYP2C19 1129/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 L3MBTL1 3563/4885CYP1A2 2270/4885CYP2C19 2860/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 L3MBTL1 2990/4885CYP1A2 1024/4885CYP2C19 1129/4885
US-20090264429-A1 Aryl - Hydroxyethylamino - Pyrimidines and Triazines as Modulators of Fatty Acid amide Hydrolase FAAH, FAAH2, HRH2 L3MBTL1 4022/4885CYP1A2 524/4885CYP2C19 674/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 L3MBTL1 2990/4885CYP1A2 1024/4885CYP2C19 1129/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 L3MBTL1 2990/4885CYP1A2 1024/4885CYP2C19 1129/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 L3MBTL1 3563/4885CYP1A2 2270/4885CYP2C19 2860/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 L3MBTL1 3563/4885CYP1A2 2270/4885CYP2C19 2860/4885

“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.