SCHEMBL161592

SCHEMBL161592

CCCOc1cc[c]cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.47
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
S1PR4 O95977 2/20 0.36
PDE7A Q13946 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
SCHEMBL160991 0.91 SMN1; SMN2 (0.45) CSNK2A1RAB9ANPC1GLASMN1; SMN2
SCHEMBL27690976 0.89 SMN1; SMN2 (0.41) CSNK2A1RAB9ANPC1GLASMN1; SMN2
SCHEMBL8116235 0.88 THRA (0.42) CSNK2A1RAB9ANPC1GLASMN1; SMN2
SCHEMBL4885849 0.85 CSNK2A1 (0.44) CSNK2A1RAB9ANPC1GLASMN1; SMN2
SCHEMBL596846 0.85 L3MBTL1 (0.39) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4532814 0.84 L3MBTL1 (0.40) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL687572 0.82 MAPT (0.39) CSNK2A1MAPTMEN1KMT2AATM
SCHEMBL701745 0.81 IDO1 (0.36) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL2251033 0.81 HTR2C (0.38) CSNK2A1S1PR4PDE7APDE7B
SCHEMBL17046320 0.81 MAPT (0.38) CSNK2A1SMN1; SMN2MAPTMEN1KMT2A

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 58 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
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US claimed
WO-2010011302-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-01-28 WO claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
US-7495015-B2 Indazole derivatives and methods for using the same ROCHE PALO ALTO LLC (US) 2009-02-24 US claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
US-20050215595-A1 Indazole derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-29 US claimed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230150931-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING NOVIUS THERAPEUTICS, LLC (US) 2023-05-18 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 EP disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
CN-85105721-A Weedicide 2-aryl-1,2, and 4-triazine-3,5 (2H, 4H)-diketone and sulfur containing analogs thereof 1987-09-02 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 (11 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-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT CSNK2A1 3449/4885RAB9A 2207/4885NPC1 916/4885
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA CSNK2A1 2249/4885RAB9A 4300/4885NPC1 2131/4885
US-20170368039-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CSNK2A1 3712/4885RAB9A 1445/4885NPC1 123/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 CSNK2A1 3915/4885RAB9A 1917/4885NPC1 174/4885
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA CSNK2A1 424/4885RAB9A 1017/4885NPC1 236/4885
US-20140294805-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CSNK2A1 3712/4885RAB9A 1445/4885NPC1 123/4885
US-20050215595-A1 Indazole derivatives and methods for using the same MAPK1, MAP3K1, MAP3K7 CSNK2A1 147/4885RAB9A 1222/4885NPC1 592/4885
US-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 CSNK2A1 3915/4885RAB9A 1917/4885NPC1 174/4885
US-20230150931-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING FABP5, FABP1, FABP4 CSNK2A1 4398/4885RAB9A 3995/4885NPC1 268/4885
US-10272072-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 CSNK2A1 3915/4885RAB9A 1917/4885NPC1 174/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CSNK2A1 3712/4885RAB9A 1445/4885NPC1 123/4885

“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.