SCHEMBL161368

SCHEMBL161368

Fc1c[c]cc(OCC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR3 P46089 1/20 0.36
CYP2C9 P11712 2/20 0.35

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
SCHEMBL16958866 0.87 ALDH1A1 (0.59) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17046268 0.80 MAPT (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17046407 0.78 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17046345 0.78 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL900776 0.75 GPR3 (0.37) GPR3
SCHEMBL457601 0.75 NQO1 (0.42) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL16957668 0.72
SCHEMBL16395224 0.72 SYK (0.34) ALDH1A1SMN1; SMN2KDM4EHSD17B10L3MBTL1
SCHEMBL12614750 0.72 LTA4H (0.36) MAPTMEN1KMT2AL3MBTL1CYP2C19
SCHEMBL17046370 0.72 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAA

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 23 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-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-01-05 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-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
EP-4255889-A1 HERBICIDAL DERIVATIVES Syngenta Crop Protection AG (CH) 2023-10-11 EP disclosed
CN-116547273-A Herbicidal derivatives 先正达农作物保护股份公司 2023-08-04 CN disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
WO-2022117445-A1 HERBICIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-06-09 WO disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 US disclosed
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-04-30 US disclosed
US-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-04-11 US disclosed
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2017-12-28 US disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
EP-2531492-B1 1,2,4-TRIAZINE-4-AMINE DERIVATIVES HEPTARES THERAPEUTICS LTD (GB) 2016-04-13 EP disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US 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 (10 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-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 MAPT 519/4885ALDH1A1 1273/4885MEN1 582/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 MAPT 519/4885ALDH1A1 1273/4885MEN1 582/4885
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 MAPT 3911/4885ALDH1A1 786/4885MEN1 4749/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 MAPT 268/4885ALDH1A1 994/4885MEN1 473/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 MAPT 519/4885ALDH1A1 1273/4885MEN1 582/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 MAPT 268/4885ALDH1A1 994/4885MEN1 473/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 MAPT 268/4885ALDH1A1 994/4885MEN1 473/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 MAPT 519/4885ALDH1A1 1273/4885MEN1 582/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX MAPT 4724/4885ALDH1A1 1019/4885MEN1 4770/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 MAPT 519/4885ALDH1A1 1273/4885MEN1 582/4885

“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.