SCHEMBL162033

SCHEMBL162033

CCCOc1cc[c]cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
CSNK2A1 P68400 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
PDE4D Q08499 1/20 0.33
HTR2A P28223 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
SCHEMBL160012 0.91 L3MBTL1 (0.42) L3MBTL1TDP1GAATLR8MCHR1
SCHEMBL27501834 0.89 L3MBTL1 (0.45) L3MBTL1TDP1MAPTALDH1A1KDM4E
SCHEMBL27294182 0.88 L3MBTL1 (0.44) L3MBTL1TDP1MAPTALDH1A1MEN1
SCHEMBL1228883 0.88 L3MBTL1 (0.44) L3MBTL1TDP1MAPTALDH1A1MEN1
SCHEMBL9699956 0.88 L3MBTL1 (0.44) L3MBTL1TDP1MAPTALDH1A1MEN1
SCHEMBL9699861 0.88 L3MBTL1 (0.44) L3MBTL1TDP1MAPTALDH1A1MEN1
SCHEMBL14814379 0.85 L3MBTL1 (0.40) L3MBTL1TDP1MAPTALDH1A1KDM4E
SCHEMBL161774 0.85 L3MBTL1 (0.46) L3MBTL1TDP1MAPTALDH1A1KDM4E
SCHEMBL21268193 0.84 L3MBTL1 (0.39) L3MBTL1TDP1ALDH1A1KDM4EMEN1
SCHEMBL687572 0.82 MAPT (0.39) L3MBTL1MAPTALDH1A1KDM4EMEN1

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 67 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
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-7915258-B2 Substituted 2,5-dihydro-3H-pyrazolo[4,3-C]pyridazin-3-one derivatives, preparation thereof and therapeutic use of the same SANOFI-AVENTIS (FR) 2011-03-29 US claimed
EP-2094706-B1 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2011-01-05 EP claimed
US-20090281107-A1 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME SANOFI-AVENTIS (FR) 2009-11-12 US claimed
CN-101541802-A Substituted 2, 5-dihydro-3H-pyrazolo [4, 3-C ] pyridazin-3-one derivatives, preparation thereof and use thereof in therapy SANOFI AVENTIS (FR) 2009-09-23 CN claimed
EP-0888340-B1 4-(BENZO-1,3-DIOXOLYL)-PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2002-07-17 EP claimed
CN-1356988-A Phenoxy fluoropyrimidines BAYER AG (DE) 2002-07-03 CN claimed
CN-1079397-C 4-(benzo-1,3-dioxolyl)-pyrrolidine-3-carboxylic acid derivatives endothelin antagonists ABBOTT LAB (US) 2002-02-20 CN claimed
US-6124341-A A DRUG FOR TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, RESTENOSIS FOLLOWING ARTERIAL INJURY, CEREBRAL OR MYOCARDIAL ISCHEMIA OR ATHEROSCLEROSIS; VASODILUTOR ABBOTT LABORATORIES (US) 2000-09-26 US claimed
CN-1265097-A Pyrrolidine carboxylic acid derivatives as endothelin antagonists ABBOTT LAB (US) 2000-08-30 CN claimed
EP-0991620-A1 PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 2000-04-12 EP claimed
CN-1215401-A 4-(benzo-1,3-dioxolyl)-pyrrolidine-3-carboxylic acid derivatives endothelin antagonists ABBOTT LAB (US) 1999-04-28 CN claimed
EP-0888340-A1 4-(BENZO-1,3-DIOXOLYL)-PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1999-01-07 EP claimed
WO-1998057933-A1 PYRROLIDINE CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1998-12-23 WO claimed
WO-1997030046-A1 4-(BENZO-1,3-DIOXOLYL)-PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 WO 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 (5 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-20090281107-A1 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME DHFR, DPYD, QDPR L3MBTL1 4466/4885TDP1 1929/4885MAPT 3119/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 L3MBTL1 3563/4885TDP1 3947/4885MAPT 519/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 L3MBTL1 3563/4885TDP1 3947/4885MAPT 519/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 L3MBTL1 2990/4885TDP1 3665/4885MAPT 268/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 L3MBTL1 2990/4885TDP1 3665/4885MAPT 268/4885

“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.