SCHEMBL29926293

SCHEMBL29926293

NC(=O)c1cc2cc3c(nc2s1)CCCC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.57
RAB9A P51151 10/20 0.57
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 4/20 0.57
EEF2K O00418 2/20 0.57
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 8/20 0.55
MAPT P10636 6/20 0.55
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HSP90AB1 P08238 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
SLC9A1 P19634 1/20 0.45
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.43
NOTUM Q6P988 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL4705999 0.86 ALDH1A1 (0.51) NPC1RAB9AKDM4EALDH1A1EEF2K
SCHEMBL22699230 0.84 NPC1 (0.47) NPC1RAB9AKDM4EALDH1A1EEF2K
SCHEMBL22699072 0.81 NPC1 (0.44) NPC1RAB9AKDM4EALDH1A1EEF2K
SCHEMBL13154846 0.80 MAPT (0.40) NPC1RAB9AKDM4EALDH1A1EEF2K
SCHEMBL22699224 0.79 KDM4E (0.45) NPC1RAB9AKDM4EALDH1A1EEF2K
SCHEMBL4705577 0.77 RAB9A (0.38) NPC1RAB9AKDM4EALDH1A1EEF2K
SCHEMBL22699269 0.76 ALDH1A1 (0.41) NPC1RAB9AKDM4EALDH1A1EEF2K
SCHEMBL4702022 0.76 MAPT (0.40) NPC1RAB9AKDM4EALDH1A1EEF2K
SCHEMBL29926093 0.76 NPC1 (0.54) NPC1RAB9AKDM4EALDH1A1EEF2K
SCHEMBL22699195 0.74 ALDH1A1 (0.48) NPC1RAB9AKDM4EALDH1A1EEF2K

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-20220273669-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP DOHME CORP. (US) 2022-09-01 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-20220273669-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES NPR1, NPPA, NPR3 NPC1 153/4885RAB9A 2564/4885KDM4E 3469/4885

“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.