SCHEMBL9728922

SCHEMBL9728922

Cc1ccc(C(=O)Nc2nc(=O)c3ccccc3[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.70
RAB9A P51151 13/20 0.70
PKM P14618 5/20 0.70
KLF5 Q13887 3/20 0.70
OPRK1 P41145 1/20 0.70
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 6/20 0.53
MAOB P27338 3/20 0.53
ADORA2A P29274 3/20 0.53
TP53 P04637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
SCD O00767 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.49
PPARG P37231 1/20 0.49

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
SCHEMBL9728941 0.89 NPC1 (0.67) NPC1RAB9APKMKLF5OPRK1
SCHEMBL30387611 0.87 NPC1 (0.70) NPC1RAB9APKMKLF5OPRK1
SCHEMBL9728591 0.87 NPC1 (0.59) NPC1RAB9APKMKLF5OPRK1
SCHEMBL9729182 0.87 NPC1 (0.70) NPC1RAB9APKMKLF5OPRK1
SCHEMBL9728665 0.86 NPC1 (0.57) NPC1RAB9APKMKLF5OPRK1
SCHEMBL9728959 0.86 RAB9A (0.72) NPC1RAB9APKMKLF5OPRK1
SCHEMBL9728432 0.85 NPC1 (0.56) NPC1RAB9APKMKLF5OPRK1
SCHEMBL11706816 0.82 NPC1 (1.00) NPC1RAB9APKMKLF5OPRK1
SCHEMBL9729002 0.82 ALPL (0.51) NPC1RAB9APKMKLF5OPRK1
SCHEMBL7456210 0.80 LMNA (0.65) NPC1RAB9APKMMEN1KMT2A

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-20230201206-A1 METHODS FOR KILLING ANTIBIOTIC TOLERANT BACTERIA THE PENN STATE RESEARCH FOUNDATION 2023-06-29 US disclosed
US-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 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-20230201206-A1 METHODS FOR KILLING ANTIBIOTIC TOLERANT BACTERIA CLPP, SPOUT1, CASP3 NPC1 1243/4885RAB9A 2358/4885PKM 3450/4885

“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.