SCHEMBL161038

SCHEMBL161038

FC(F)(F)COc1[c]cc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
THRB P10828 1/20 0.32
G6PD P11413 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP17A1 P05093 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL5437045 0.79 MAPT (0.36) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL3278789 0.79 ALDH1A1 (0.33) MAPTALDH1A1KDM4EMEN1USP2
SCHEMBL289505 0.79 GPR3 (0.41) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL21268273 0.78 ALDH1A1 (0.32) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL21268318 0.78 ALDH1A1 (0.32) MAPTALDH1A1KDM4EMEN1USP2
SCHEMBL21268362 0.75 MAPT (0.34) MAPTALDH1A1KDM4EMEN1USP2
SCHEMBL21268177 0.75 HDAC4 (0.31) MAPTALDH1A1KDM4EMEN1USP2
SCHEMBL883938 0.75 PTGS1 (0.39) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL900515 0.75
SCHEMBL162984 0.75 NQO1 (0.36) SMN1; SMN2MAPTALDH1A1KDM4EMEN1

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 26 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-6436961-B1 SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES PFIZER INC 2002-08-20 US claimed
EP-1000045-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP claimed
WO-1999006382-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 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-2183241-B1 2-PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LTD (GB) 2012-12-19 EP disclosed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2008-06-05 US disclosed
EP-1172106-A2 Use of fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles as substance P receptor antagonists Pfizer Products Inc. (US) 2002-01-16 EP disclosed
EP-1000045-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP disclosed
WO-1999006382-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 WO 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-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles NMUR2, NMUR1, NMBR SMN1; SMN2 644/4885MAPT 2745/4885ALDH1A1 1666/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 SMN1; SMN2 1497/4885MAPT 519/4885ALDH1A1 1273/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 SMN1; SMN2 1001/4885MAPT 268/4885ALDH1A1 994/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 SMN1; SMN2 1497/4885MAPT 519/4885ALDH1A1 1273/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 SMN1; SMN2 1001/4885MAPT 268/4885ALDH1A1 994/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 SMN1; SMN2 1001/4885MAPT 268/4885ALDH1A1 994/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 SMN1; SMN2 1001/4885MAPT 268/4885ALDH1A1 994/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 SMN1; SMN2 1497/4885MAPT 519/4885ALDH1A1 1273/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 SMN1; SMN2 1497/4885MAPT 519/4885ALDH1A1 1273/4885

“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.