SCHEMBL6898745

SCHEMBL6898745

CCCc1cccc(C(C)=O)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.43
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 3/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
P2RX7 Q99572 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL5240216 0.87 KDM4E (0.57) KCNH2NPSR1CYP1A2BRD4KDM4E
SCHEMBL12432224 0.86 IRAK4 (0.49) KCNH2NPSR1CYP1A2BRD4ALDH1A1
SCHEMBL3935225 0.85 MBOAT4 (0.47) KCNH2CTSSCTSKNPSR1CYP1A2
Alcohol SCHEMBL4865562 0.83 NPSR1 (0.42) KCNH2NPSR1CYP1A2BRD4ALDH1A1
SCHEMBL31013362 0.83 ALDH1A1 (0.46) KCNH2NPSR1CYP1A2BRD4ALDH1A1
SCHEMBL1054149 0.82 NPSR1 (0.44) NPSR1CYP1A2BRD4ALDH1A1KDM4E
SCHEMBL30952862 0.82 NPSR1 (0.44) NPSR1CYP1A2BRD4ALDH1A1KDM4E
SCHEMBL5269435 0.82 CYP1A2 (0.50) NPSR1CYP1A2BRD4NPC1RAB9A
SCHEMBL8662483 0.81 KCNH2 (0.43) KCNH2NPSR1CYP1A2BRD4ALDH1A1
SCHEMBL9993619 0.81 CYP1A2 (0.72) NPSR1CYP1A2ALDH1A1KDM4ELMNA

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-20170144971-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer AMGEN INC. (US) 2017-05-25 US disclosed
US-20160271137-A1 INHIBITORS OF LONG AND VERY LONG CHAIN FATTY ACID METABOLISM AS BROAD SPECTRUM ANTI-VIRALS UNIV PRINCETON (US) 2016-09-22 US disclosed
US-20160271137-A1 INHIBITORS OF LONG AND VERY LONG CHAIN FATTY ACID METABOLISM AS BROAD SPECTRUM ANTI-VIRALS UNIV PRINCETON (US) 2016-09-22 US disclosed
US-20160137667-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer AMGEN INC. (US) 2016-05-19 US disclosed
US-9296736-B2 Piperidinone derivatives as MDM2 inhibitors for the treatment of cancer AMGEN INC. (US) 2016-03-29 US disclosed
US-9168269-B2 Inhibitors of long and very long chain fatty acid metabolism as broad spectrum anti-virals THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-10-27 US disclosed
US-9168269-B2 Inhibitors of long and very long chain fatty acid metabolism as broad spectrum anti-virals THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-10-27 US disclosed
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY KOYUNCU EMRE (US) 2015-05-21 US disclosed
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY KOYUNCU EMRE (US) 2015-05-21 US disclosed
US-20140315895-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2014-10-23 US disclosed
US-20140011796-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2014-01-09 US disclosed
US-8569341-B2 Piperidinone derivatives as MDM2 inhibitors for the treatment of cancer AMGEN INC. (US) 2013-10-29 US disclosed
US-20130190381-A1 INHIBITORS OF LONG AND VERY LONG CHAIN FATTY ACID METABOLISM AS BROAD SPECTRUM ANTI-VIRALS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-07-25 US disclosed
US-20130190381-A1 INHIBITORS OF LONG AND VERY LONG CHAIN FATTY ACID METABOLISM AS BROAD SPECTRUM ANTI-VIRALS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-07-25 US disclosed
WO-2012139028-A2 ANTI-VIRAL COMBINATION THERAPY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-10-11 WO disclosed
US-20110319378-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2011-12-29 US disclosed
WO-2011103516-A2 INHIBITORS OF LONG AND VERY LONG CHAIN FATTY ACID METABOLISM AS BROAD SPECTRUM ANTI-VIRALS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2011-08-25 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-20140011796-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A KCNH2 4697/4885CTSS 2759/4885CTSK 1837/4885
US-20160271137-A1 INHIBITORS OF LONG AND VERY LONG CHAIN FATTY ACID METABOLISM AS BROAD SPECTRUM ANTI-VIRALS FASN, PLIN1, PLIN3 KCNH2 4693/4885CTSS 850/4885CTSK 2044/4885
US-20110319378-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A KCNH2 4697/4885CTSS 2759/4885CTSK 1837/4885
US-20130190381-A1 INHIBITORS OF LONG AND VERY LONG CHAIN FATTY ACID METABOLISM AS BROAD SPECTRUM ANTI-VIRALS FASN, PLIN1, PLIN3 KCNH2 4693/4885CTSS 850/4885CTSK 2044/4885
US-20160137667-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer MDM2, TP53, CDKN1A KCNH2 4697/4885CTSS 2759/4885CTSK 1837/4885
US-20140315895-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER MDM2, TP53, CDKN1A KCNH2 4697/4885CTSS 2759/4885CTSK 1837/4885
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY HAVCR2, MAVS, ZC3HAV1 KCNH2 4862/4885CTSS 248/4885CTSK 1129/4885
US-20170144971-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer MDM2, TP53, CDKN1A KCNH2 4697/4885CTSS 2759/4885CTSK 1837/4885

“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.