SCHEMBL160621

SCHEMBL160621

CC(C)NC(=O)c1c[c]ccc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
MLYCD O95822 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.37
KCNA3 P22001 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 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
SCHEMBL1476023 0.81 GAA (0.56) ALDH1A1HTTPOLBGAA
SCHEMBL2900063 0.79 GAA (0.49) ALOX5ALDH1A1TP53GAA
SCHEMBL1449189 0.78 ALOX5 (0.41) ALOX5MLYCDALDH1A1HTTLMNA
SCHEMBL1476818 0.77 KMT2A (0.41) ALDH1A1POLBLMNAGAA
SCHEMBL6625604 0.77 LMNA (0.38) ALDH1A1HTTPOLBLMNAGAA
SCHEMBL3377192 0.75 GAA (0.63) ALDH1A1TP53HTTPOLBLMNA
SCHEMBL8961339 0.75 GAA (0.33) ALDH1A1TP53HTTLMNAGAA
SCHEMBL7246452 0.74 SMN1; SMN2 (0.36) ALDH1A1TP53HTTLMNAGAA
SCHEMBL7137660 0.72 CES2 (0.55) ALOX5ALDH1A1GAAKCNA3
SCHEMBL730792 0.72 ALB (0.41) ALDH1A1LMNA

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 17 patents. 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-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
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-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2014-10-02 US 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 (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-20190105307-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ALOX5 1172/4885MLYCD 2086/4885ALDH1A1 1273/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ALOX5 1172/4885MLYCD 2086/4885ALDH1A1 1273/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 ALOX5 1228/4885MLYCD 2087/4885ALDH1A1 994/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ALOX5 1172/4885MLYCD 2086/4885ALDH1A1 1273/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 ALOX5 1228/4885MLYCD 2087/4885ALDH1A1 994/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 ALOX5 1228/4885MLYCD 2087/4885ALDH1A1 994/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 ALOX5 1228/4885MLYCD 2087/4885ALDH1A1 994/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ALOX5 1172/4885MLYCD 2086/4885ALDH1A1 1273/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ALOX5 1172/4885MLYCD 2086/4885ALDH1A1 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.