SCHEMBL6833141

SCHEMBL6833141

O=C(O)c1noc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.52
HIF1A Q16665 1/20 0.50
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
IGFBP3 P17936 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL29571343 1.00 LMNA (0.52) LMNACYP1A2HIF1AMAOAMAOB
SCHEMBL492850 0.88 LMNA (0.66) LMNACYP1A2HIF1AMAOAMAOB
SCHEMBL28961641 0.87 LMNA (0.51) LMNACYP1A2HIF1ANPC1RAB9A
SCHEMBL6593057 0.80 LMNA (0.46) LMNACYP1A2HIF1ANPC1RAB9A
SCHEMBL6588863 0.80 GPR35 (0.47) LMNACYP1A2HIF1ANPC1RAB9A
SCHEMBL7247038 0.78 HIF1A (0.47) LMNACYP1A2HIF1AMAOAMAOB
SCHEMBL7461998 0.76 LMNA (0.46) LMNACYP1A2CA12CA9ALDH1A1
SCHEMBL6962602 0.76 IDO1 (0.56) LMNACYP1A2HIF1ANPC1RAB9A
SCHEMBL30748281 0.76 IDO1 (0.56) LMNACYP1A2HIF1ANPC1RAB9A
Acetic Acid Methyl Ester SCHEMBL27569698 0.76 LMNA (0.50) LMNACYP1A2HIF1ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437062-B Compound capable of being used as sodium channel regulator and application thereof 成都海博为药业有限公司 2024-05-17 CN disclosed
CN-114437062-A Compound capable of being used as sodium channel regulator and application thereof 成都海博为药业有限公司 2022-05-06 CN disclosed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 LMNA 3376/4885CYP1A2 710/4885HIF1A 220/4885

“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.