SCHEMBL3105772

SCHEMBL3105772

CCCCN1CCNC(C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.45
GLB1 P16278 1/20 0.42
GBA1 P04062 1/20 0.42
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GNAO1 P09471 4/20 0.39
GNAI3 P08754 3/20 0.39
GNAI1 P63096 3/20 0.39
CHRM1 P11229 2/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
THRB P10828 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 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
SCHEMBL29509310 1.00 BIRC2 (0.45) BIRC2GLB1GBA1EBPSIGMAR1
SCHEMBL3099250 0.94 EBP (0.47) BIRC2EBPSIGMAR1GNAO1GNAI3
SCHEMBL3100830 0.92 EBP (0.50) BIRC2EBPSIGMAR1GNAO1GNAI3
SCHEMBL4274108 0.92 EBP (0.50) BIRC2EBPSIGMAR1GNAO1GNAI3
SCHEMBL3110486 0.88 BIRC2 (0.47) BIRC2CHRM1
SCHEMBL13772197 0.88 BIRC2 (0.47) BIRC2CHRM1
SCHEMBL17591405 0.88 BIRC2 (0.47) BIRC2CHRM1
SCHEMBL28313690 0.84 GNAO1 (0.46) BIRC2GLB1GBA1GNAO1GNAI3
SCHEMBL4089011 0.82 BIRC2 (0.44) BIRC2SIGMAR1CHRM1GRIN2DGRIN3B
SCHEMBL3109275 0.81 GLB1 (0.40) GLB1GBA1EBPSIGMAR1GNAO1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-09-23 US disclosed
US-10160748-B2 Indazolones as modulators of tnf signaling ABBVIE INC. (US) 2018-12-25 US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
EP-2204394-B1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS TOSOH CORP (JP) 2017-07-12 EP disclosed
CN-102171214-B Dihydropyridophthalazinone inhibitors of poly (ADP-ribose) polymerase (PARP) BIOMARIN PHARM INC 2015-06-24 CN disclosed
CN-104478875-A Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARM INC 2015-04-01 CN disclosed
US-8980965-B2 Method for producing polyester type flexible polyurethane foam, and catalyst composition to be used therefor TOSOH CORPORATION (JP) 2015-03-17 US disclosed
CN-103896942-A Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARM INC 2014-07-02 CN disclosed
CN-102171214-A Dihydropyridophthalazinone inhibitors of poly (ADP-ribose) polymerase (PARP) BIOMARIN PHARM INC 2011-08-31 CN disclosed
US-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR TOSOH CORPORATION (JP) 2010-10-07 US disclosed
CN-101835820-A Process for production of polyester-containing flexible polyurethane foam, and catalyst composition for use in the process TOSOH CORP 2010-09-15 CN disclosed
EP-2204394-A1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS Tosoh Corporation (JP) 2010-07-07 EP disclosed
CN-100526312-C Benzimidazole quinolinones and uses thereof CHIRON CORP (US) 2009-08-12 CN disclosed
CN-1692112-A Benzimidazole quinolinones and uses thereof CHIRON CORP (US) 2005-11-02 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 (4 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-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A BIRC2 962/4885GLB1 3520/4885GBA1 2513/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A BIRC2 962/4885GLB1 3520/4885GBA1 2513/4885
US-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR OR51E2, CYP4F11, FFAR3 BIRC2 2156/4885GLB1 3949/4885GBA1 3819/4885
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 BIRC2 2277/4885GLB1 1818/4885GBA1 1427/4885

“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.