SCHEMBL160079

SCHEMBL160079

CCCCOc1[c]c(F)ccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.39
CYP1A2 P05177 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP19A1 P11511 3/20 0.35
TLR4 O00206 1/20 0.35
TLR2 O60603 1/20 0.35
NR5A1 Q13285 1/20 0.34
TSHR P16473 1/20 0.34
MCHR1 Q99705 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL159542 0.91 KMT2A (0.34) LTA4HTSHRMCHR1SMN1; SMN2TP53
SCHEMBL677726 0.86 LTA4H (0.45) LTA4HCYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL159421 0.82 NQO1 (0.36) LTA4HCYP1A2CYP2C19TSHRSMN1; SMN2
SCHEMBL4535895 0.81 APP (0.30)
SCHEMBL677039 0.80 TSHR (0.46) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL27660871 0.79 LTA4H (0.40) LTA4HCYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL8523894 0.79
SCHEMBL5983957 0.79 TSHR (0.49) LTA4HNR5A1TSHRMCHR1TP53
SCHEMBL3597737 0.79 TSHR (0.49) LTA4HNR5A1TSHRMCHR1TP53
SCHEMBL1451918 0.79 TSHR (0.49) LTA4HNR5A1TSHRMCHR1TP53

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 28 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-3129358-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-15 EP claimed
US-20170029383-A1 Diaminotriazine Derivatives as Herbicides BASF SE (DE) 2017-02-02 US claimed
CN-106164058-A Diaminourea pyrrolotriazine derivatives as herbicide 巴斯夫欧洲公司 2016-11-23 CN claimed
WO-2015155271-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-15 WO 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
WO-2015155129-A1 DIAMINOTRIAZINE COMPOUND BASF SE (DE) 2015-10-15 WO disclosed
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US disclosed
CN-103384668-A Novel compounds and compositions for inhibiting NAMPT FORMA THERAPEUTICS INC 2013-11-06 CN disclosed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP disclosed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 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 (8 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 LTA4H 2761/4885CYP1A2 2270/4885CYP2C9 2180/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 LTA4H 2984/4885CYP1A2 1024/4885CYP2C9 725/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 LTA4H 2761/4885CYP1A2 2270/4885CYP2C9 2180/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 LTA4H 2984/4885CYP1A2 1024/4885CYP2C9 725/4885
US-20170029383-A1 Diaminotriazine Derivatives as Herbicides DDT, CBR3, HDHD5 LTA4H 2459/4885CYP1A2 311/4885CYP2C9 2622/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 LTA4H 2984/4885CYP1A2 1024/4885CYP2C9 725/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 LTA4H 2761/4885CYP1A2 2270/4885CYP2C9 2180/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 LTA4H 2761/4885CYP1A2 2270/4885CYP2C9 2180/4885

“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.