SCHEMBL19508807

SCHEMBL19508807

CC1C(=O)c2ccccc2C(=O)N1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
S100A4 P26447 1/20 0.41
POLB P06746 1/20 0.41
GPR3 P46089 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
TTR P02766 1/20 0.39
CES1 P23141 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6974773 0.79 GPR3 (0.60) MEN1KMT2AS100A4GPR3KDM4E
SCHEMBL13704120 0.79 GPR3 (0.60) CASP3MEN1KMT2APOLBGPR3
SCHEMBL22792110 0.79 GPR3 (0.60) CASP3MEN1KMT2APOLBGPR3
SCHEMBL13704044 0.79 GPR3 (0.60) CASP3MEN1KMT2APOLBGPR3
Hydrochloric Acid SCHEMBL27740780 0.78 GPR3 (0.58) MEN1KMT2AS100A4GPR3KDM4E
SCHEMBL22451360 0.72 GFER (0.60) CASP3MEN1KMT2APOLBKDM4E
Formamide SCHEMBL28364111 0.72 GPR3 (0.51) MEN1KMT2APOLBGPR3KDM4E
SCHEMBL19255620 0.71 MEN1 (0.49) CASP3MEN1KMT2AGPR3KDM4E
SCHEMBL20133640 0.69 ADORA3 (0.42) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL22623757 0.69 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305846-A1 2,2' -DIAMINOBIARYLS HAVING A PHTHALOYL GROUP OR SUCCINOYL GROUP EVONIK DEGUSSA GMBH (DE) 2017-10-26 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 (1 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-20170305846-A1 2,2' -DIAMINOBIARYLS HAVING A PHTHALOYL GROUP OR SUCCINOYL GROUP SUCLA2, SPATS2L, SUCLG2 CASP3 3146/4885MEN1 1413/4885KMT2A 198/4885

“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.