SCHEMBL23258482

SCHEMBL23258482

NC(=O)c1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ POLB P06746 2/20 0.58
▸ MAOB P27338 4/20 0.58
▸ F12 P00748 1/20 0.54
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPT P10636 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ MMP2 P08253 1/20 0.46
▸ CYP24A1 Q07973 1/20 0.46
▸ KCNMA1 Q12791 2/20 0.46

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
SCHEMBL23258487 0.88 RAB9A (0.70) NPC1RAB9APOLBMAOBF12
SCHEMBL5867051 0.82 F12 (0.72) NPC1RAB9AMAOBF12MEN1
SCHEMBL23258256 0.79 MMP2 (0.57) NPC1RAB9APOLBMAOBF12
SCHEMBL6239637 0.79 POLB (0.58) NPC1RAB9APOLBMAOBF12
SCHEMBL23258437 0.79 MAOB (0.56) NPC1RAB9APOLBMAOBF12
SCHEMBL4001852 0.79 POLB (0.69) NPC1RAB9APOLBMAOBF12
SCHEMBL23258446 0.78 POLB (0.59) NPC1RAB9APOLBMAOBF12
Hydrochloric Acid SCHEMBL7803214 0.77 POLB (0.68) NPC1RAB9APOLBMAOBF12
SCHEMBL23258329 0.77 SMN1; SMN2 (0.61) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL2102040 0.76 NPC1 (0.56) NPC1RAB9APOLBMAOBF12

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-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-22 — — 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-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY UGGT1, UGCG, GLA NPC1 649/4885RAB9A 1534/4885POLB 1750/4885

“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.

Send feedback