SCHEMBL4287528

SCHEMBL4287528

O=[N+]([O-])c1cc(-c2ccccc2)c2nc[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
NAMPT P43490 1/20 0.51
XDH P47989 1/20 0.51
TOP1 P11387 1/20 0.45
MAPT P10636 3/20 0.44
NPBWR1 P48145 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DPP4 P27487 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
ELANE P08246 1/20 0.42
HPGD P15428 1/20 0.42
PTGS2 P35354 2/20 0.41
LMNA P02545 1/20 0.41
PDPK1 O15530 1/20 0.40
CYP19A1 P11511 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
SCHEMBL7033550 0.74 CYP3A4 (0.54) CYP3A4NAMPTXDHMAPTRAB9A
SCHEMBL15022727 0.74 CYP3A4 (0.54) CYP3A4NAMPTXDHMAPTNPBWR1
SCHEMBL7090036 0.74 DPP4 (0.51) CYP3A4MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8889428 0.74 METAP2 (0.50) CYP3A4TOP1MAPTSMN1; SMN2MEN1
SCHEMBL27476007 0.74 MEN1 (0.60) CYP3A4NAMPTXDHNPBWR1MEN1
SCHEMBL23579937 0.74 METAP1 (0.48) CYP3A4NAMPTXDHMAPTSMN1; SMN2
SCHEMBL29385458 0.74 METAP1 (0.48) CYP3A4NAMPTXDHMAPTSMN1; SMN2
SCHEMBL2919852 0.74 CYP3A4 (0.50) CYP3A4NAMPTXDHMAPTMEN1
SCHEMBL2919937 0.74 CYP3A4 (0.50) CYP3A4NAMPTXDHMAPTSMN1; SMN2
SCHEMBL23579646 0.71 DPP4 (0.44) CYP3A4NAMPTMAPTSMN1; SMN2MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors ONKURE, INC. (US) 2022-05-24 US disclosed
US-20220041584-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS ONKURE, INC. (US) 2022-02-10 US disclosed
WO-2021133957-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS ONKURE, INC. (US) 2021-07-01 WO disclosed
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 EP disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 WO disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 WO disclosed
US-20060247263-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-11-02 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 (3 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-20220041584-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS HDAC6, HDAC1, HDAC11 CYP3A4 2771/4885NAMPT 1664/4885XDH 530/4885
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors HDAC6, HDAC1, HDAC11 CYP3A4 2771/4885NAMPT 1664/4885XDH 530/4885
US-20060247263-A1 Substituted heterocyclic compounds and methods of use MAPT, IAPP, MYLK2 CYP3A4 1141/4885NAMPT 1151/4885XDH 1714/4885

“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.