SCHEMBL23295641

SCHEMBL23295641

CCCc1c(C(C)C)nc2[nH]c3ccccc3n2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 5/20 0.46
POLB P06746 2/20 0.44
GAA P10253 3/20 0.43
HTT P42858 3/20 0.43
APAF1 O14727 2/20 0.43
LMNA P02545 2/20 0.43
NOD2 Q9HC29 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK10 P53779 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.42
PDE2A O00408 1/20 0.41
PDE6D O43924 1/20 0.41
PDE8A O60658 1/20 0.41

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
SCHEMBL24477378 0.92 RAB9A (0.46) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL23295672 0.90 KDM4E (0.54) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL23295721 0.85 RAB9A (0.51) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL23335565 0.84 KDM4E (0.53) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL24477388 0.82 KMT2A (0.43) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL24477397 0.82 RAB9A (0.45) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL24477381 0.82 RAB9A (0.45) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL24477382 0.82 RAB9A (0.45) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL24477379 0.81 KDM4E (0.51) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL24477385 0.81 KDM4E (0.51) RAB9ANPC1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210128561-A1 MRGX Receptor Antagonists KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2021-05-06 US disclosed
US-20210128561-A1 MRGX Receptor Antagonists KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2021-05-06 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-20210128561-A1 MRGX Receptor Antagonists MRGPRX2, MRGPRX1, MRGPRX4 RAB9A 1543/4885NPC1 1021/4885MEN1 843/4885

“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.