SCHEMBL6707699

SCHEMBL6707699

O=C(Nc1ccc(Br)cc1-c1nnn[nH]1)c1noc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.43
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
GAA P10253 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TNF P01375 1/20 0.35
POLB P06746 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
PDPK1 O15530 2/20 0.34
AKT1 P31749 2/20 0.34

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
SCHEMBL6710349 0.90 HIF1A (0.38) HIF1ALMNAMEN1KMT2AMAPT
SCHEMBL6710023 0.90 HIF1A (0.43) HIF1ALMNACYP1A2MEN1KMT2A
SCHEMBL6710262 0.87 HIF1A (0.42) HIF1ALMNACYP1A2MEN1KMT2A
SCHEMBL6710016 0.86 LMNA (0.36) HIF1ALMNACYP1A2GAAMEN1
SCHEMBL6707747 0.85 HIF1A (0.35) HIF1ALMNAMEN1KMT2AMAPT
SCHEMBL6710550 0.85 HIF1A (0.44) HIF1ALMNACYP1A2GAAMEN1
SCHEMBL6708059 0.84 HIF1A (0.49) HIF1A
SCHEMBL6709172 0.84 HIF1A (0.42) HIF1ALMNAMEN1KMT2AMAPT
SCHEMBL6713659 0.83 HIF1A (0.45) HIF1ALMNAMEN1KMT2AMAPT
SCHEMBL6713150 0.83 HIF1A (0.43) HIF1ALMNAMEN1KMT2AMAPT

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
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed
EP-1343758-A1 SUBSTITUTED BIS-INDOLE DERIVATIVES USEFUL AS CONTRAST AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR PRODUCING THEM K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2003-09-17 EP disclosed
WO-2002038546-A1 SUBSTITUTED BIS-INDOLE DERIVATIVES USEFUL AS CONTRAST AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR PRODUCING THEM K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2002-05-16 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 HIF1A 296/4885LMNA 4062/4885CYP1A2 492/4885

“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.