SCHEMBL23938004

SCHEMBL23938004

Ic1ccc(NCc2ccccn2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
RAB9A P51151 3/20 0.62
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAOA P21397 3/20 0.53
MAOB P27338 3/20 0.53
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP1A2 P05177 2/20 0.46
FYN P06241 1/20 0.46
CXCR4 P61073 1/20 0.46
FABP1 P07148 1/20 0.45
FABP6 P51161 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL22191119 0.83 HDAC3 (0.60) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL229311 0.81 CXCR4 (0.68) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL30487250 0.81 CXCR4 (0.68) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL6754285 0.81 MAOA (0.64) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL1108639 0.81 NPC1 (0.62) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL4493175 0.78 MAOA (0.73) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL22191739 0.78 FABP1 (0.58) KDM4ESMN1; SMN2TP53HPGDHDAC3
SCHEMBL27304831 0.77 NPC1 (0.58) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL13757445 0.77 NPC1 (0.74) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL1244338 0.77 MAOA (0.70) NPC1RAB9AKDM4ESMN1; SMN2TP53

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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 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 (2 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 NPC1 3743/4885RAB9A 3585/4885KDM4E 403/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 NPC1 3743/4885RAB9A 3585/4885KDM4E 403/4885

“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.