SCHEMBL3017773

SCHEMBL3017773

O=C(NO)c1ccc2ccc(C(=O)Nc3cccnc3)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.63
CYP11B2 P19099 4/20 0.63
NAMPT P43490 8/20 0.63
SIRT2 Q8IXJ6 1/20 0.62
LMNA P02545 3/20 0.61
HIF1A Q16665 1/20 0.61
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57

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
SCHEMBL3038840 0.84 NAMPT (0.81) CYP11B1CYP11B2NAMPTLMNAHIF1A
SCHEMBL3031316 0.82 HDAC2 (0.74) NPC1RAB9AKDM4E
SCHEMBL30533390 0.81 LMNA (0.81) CYP11B1CYP11B2NAMPTSIRT2LMNA
SCHEMBL7405091 0.80 RAB9A (0.78) LMNANPC1RAB9AGAAKDM4E
SCHEMBL13095736 0.78 CYP11B1 (0.68) CYP11B1CYP11B2NAMPTLMNAHIF1A
Hydrochloric Acid SCHEMBL27467353 0.78 NAMPT (0.57) CYP11B1CYP11B2NAMPTSIRT2LMNA
SCHEMBL6354168 0.78 CYP11B1 (1.00) CYP11B1CYP11B2NAMPTLMNAHIF1A
SCHEMBL4089884 0.77 NAMPT (0.81) CYP11B1CYP11B2NAMPTSIRT2LMNA
SCHEMBL5412469 0.77 ROCK2 (0.64) CYP11B1CYP11B2NAMPTNPC1RAB9A
SCHEMBL6027553 0.77 HDAC1 (0.51) NAMPTNPC1RAB9AKDM4E

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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US claimed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 CYP11B1 1222/4885CYP11B2 1466/4885NAMPT 347/4885

“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.