SCHEMBL161799

SCHEMBL161799

CCCCOc1cc[c]c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.43
AHR P35869 1/20 0.42
NR5A1 Q13285 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 3/20 0.41
CYP19A1 P11511 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL1669927 0.93 TSHR (0.50) LTA4HNR5A1TSHR
SCHEMBL10474244 0.93 TSHR (0.50) LTA4HNR5A1TSHR
SCHEMBL160643 0.91 KMT2A (0.41) LTA4HCA12CA1CA2CA7
SCHEMBL27647098 0.87 PDIA6 (0.34) TSHRMEN1NPC1GAARAB9A
SCHEMBL9935226 0.84 NR1I2 (0.37) TSHRALDH1A1GAA
SCHEMBL9935566 0.84 NOS3 (0.40) TSHR
SCHEMBL8345477 0.84 MAOA (0.35) TSHRNPC1MAPTRAB9A
SCHEMBL15067951 0.83 LTA4H (0.44) LTA4HAHRNR5A1CA12CA1
SCHEMBL160560 0.82 NQO1 (0.46) LTA4HAHRCA12CA1CA7
SCHEMBL9935427 0.82 NCF1 (0.44) TSHRMEN1ALDH1A1MAPTKMT2A

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 27 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
US-8273770-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-25 US claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
EP-2176251-B1 5-pyridinone substituted indazoles and pharmaceutical compositions thereof ALBANY MOLECULAR RES INC (US) 2012-02-08 EP claimed
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES AMR TECHNOLOGY, INC. (US) 2009-03-26 US claimed
US-6337423-B1 BIND TO VOLTAGE-GATED SODIUM ION CHANNELS TO MODULATE ACTIVITY ADVANCED MEDICINE, INC. 2002-01-08 US 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-2176251-B1 5-pyridinone substituted indazoles and pharmaceutical compositions thereof ALBANY MOLECULAR RES INC (US) 2012-02-08 EP disclosed
CN-100564383-C Organosilicon compound and manufacture method thereof SUMITOMO CHEMICAL CO (JP) 2009-12-02 CN disclosed
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES AMR TECHNOLOGY, INC. (US) 2009-03-26 US disclosed
CN-1930174-A Organosilicon compound and method for producing same SUMITOMO CHEMICAL CO (JP) 2007-03-14 CN disclosed
CN-1295558-A Novel local anesthetic compounds and uses ADVANCED MEDICINE INC (US) 2001-05-16 CN 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-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 LTA4H 2761/4885AHR 1940/4885NR5A1 1776/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 LTA4H 2984/4885AHR 1132/4885NR5A1 1196/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 LTA4H 2761/4885AHR 1940/4885NR5A1 1776/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 LTA4H 2984/4885AHR 1132/4885NR5A1 1196/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 LTA4H 2984/4885AHR 1132/4885NR5A1 1196/4885
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PNPO, NDUFS3 LTA4H 2389/4885AHR 748/4885NR5A1 352/4885
US-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 LTA4H 2984/4885AHR 1132/4885NR5A1 1196/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 LTA4H 2761/4885AHR 1940/4885NR5A1 1776/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 LTA4H 2761/4885AHR 1940/4885NR5A1 1776/4885

“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.