SCHEMBL158115

SCHEMBL158115

COc1cc(C)[c]cc1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NQO2 P16083 2/20 0.32
ATM Q13315 1/20 0.32
CYP19A1 P11511 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1097867 0.83 ACHE (0.41) ACHEALDH1A1MAPTCYP3A4KDM4E
SCHEMBL220314 0.81 ACHE (0.36) ACHETAAR1ALDH1A1MAPTCYP3A4
SCHEMBL1637863 0.79 ACHE (0.39) ACHETAAR1MAPTCYP3A4KDM4E
SCHEMBL28624535 0.77 POLB (0.34) ACHETAAR1ALDH1A1MAPTNQO2
SCHEMBL1636127 0.77 ACHE (0.33) ACHETAAR1ALDH1A1MAPTCYP3A4
SCHEMBL5842993 0.77 TUBB1 (0.33) ACHETAAR1MAPTCYP3A4KDM4E
SCHEMBL1636806 0.77 GAA (0.42) ACHETAAR1ALDH1A1MAPTKDM4E
SCHEMBL1636803 0.77 TUBB1 (0.33) ACHETAAR1ALDH1A1MAPTCYP3A4
SCHEMBL3250672 0.77 ALDH1A1 (0.38) ACHETAAR1ALDH1A1MAPTCYP3A4
SCHEMBL6856632 0.77 ALDH1A1 (0.43) ACHEALDH1A1MAPTCYP3A4KDM4E

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 98 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-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 US claimed
US-6930112-B2 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2005-08-16 US claimed
US-5783577-A COMBINATORIAL LIBRARY FOR DRUG SCREENING TREGA BIOSCIENCES, INC. (US) 1998-07-21 US claimed
CN-118119626-A Fused bicyclic heteroaryl compounds useful as NLRP3 inhibitors 豪夫迈·罗氏有限公司 2024-05-31 CN disclosed
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
EP-0422474-A2 Fluorescent pigments BASF Aktiengesellschaft (DE) 1991-04-17 EP disclosed
US-4845223-A FLUORESCENT PERYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
EP-0227980-A2 Fluorescent aroxysubstituted 3,4,9,10-perylenetetracarboxylic acid-diimides and their use for the concentration of lights in small areas BASF Aktiengesellschaft (DE) 1987-07-08 EP disclosed
US-4379934-A Process for two-dimensionally concentrating light, and novel perylene-3,4,9,10-tetracarboxylic acid diimides BASF AKTIENGESELLSCHAFT (DE) 1983-04-12 US disclosed
EP-0033079-A1 Perylene-3,4,9,10-tetracarboxylic-acid diimides and their use BASF Aktiengesellschaft (DE) 1981-08-05 EP disclosed
US-3994724-A SUBSTITUTED ANILINE PHOTOCONDUCTOR SCOTT PAPER COMPANY (US) 1976-11-30 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 (7 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 ACHE 1026/4885TAAR1 2823/4885ALDH1A1 1273/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 ACHE 890/4885TAAR1 3175/4885ALDH1A1 994/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ACHE 1026/4885TAAR1 2823/4885ALDH1A1 1273/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 ACHE 890/4885TAAR1 3175/4885ALDH1A1 994/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 ACHE 890/4885TAAR1 3175/4885ALDH1A1 994/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ACHE 1026/4885TAAR1 2823/4885ALDH1A1 1273/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ACHE 1026/4885TAAR1 2823/4885ALDH1A1 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.