SCHEMBL20869716

SCHEMBL20869716

COc1[nH]c2ccccc2c(=O)c1C(=O)Nc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
IDO1 P14902 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NAMPT P43490 1/20 0.46
MAPKAPK2 P49137 2/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
MAP2K1 Q02750 1/20 0.45

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
SCHEMBL20869686 0.87 ADORA3 (0.48) RAB9ANPC1KMT2APOLBMEN1
SCHEMBL20869715 0.84 IDO1 (0.53) RAB9AIDO1SMN1; SMN2KDM4ENPC1
SCHEMBL11283748 0.74 IDO1 (0.50) RAB9AIDO1SMN1; SMN2KDM4ENPC1
SCHEMBL397919 0.73 CFTR (0.74) HSD17B10
SCHEMBL15131706 0.72 EIF2AK2 (0.47) RAB9AKDM4EMAPTTSHRKMT2A
SCHEMBL148468 0.71 ALDH1A1 (0.58) RAB9AIDO1KDM4ENPC1TSHR
SCHEMBL30919342 0.70 SLC22A12 (0.58) RAB9AKDM4ENPC1MAPTKMT2A
SCHEMBL15709042 0.70 SLC22A12 (0.58) RAB9AKDM4ENPC1MAPTKMT2A
SCHEMBL25720105 0.69 LMNA (0.49) RAB9ASMN1; SMN2KDM4ENPC1MAPT
SCHEMBL4241048 0.69 HTR2C (0.70) RAB9AIDO1KDM4ENPC1KMT2A

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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2019-04-04 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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE PYGL, HNF4A, ATF1 RAB9A 4262/4885IDO1 2984/4885SMN1; SMN2 3176/4885

“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.