SCHEMBL6788960

SCHEMBL6788960

CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc3cn[nH]c3c2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.66
BRD4 O60885 7/20 0.64
L3MBTL1 Q9Y468 1/20 0.46
EIF2AK2 P19525 1/20 0.46
SYK P43405 2/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
NOS1 P29475 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NTRK1 P04629 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL6782658 0.92 HSF1 (0.78) HSF1BRD4SYKMAPTNOS1
SCHEMBL6786386 0.90 HSF1 (0.61) HSF1BRD4L3MBTL1EIF2AK2SYK
SCHEMBL9985583 0.89 HSF1 (0.60) HSF1BRD4L3MBTL1EIF2AK2SYK
SCHEMBL9985581 0.89 HSF1 (0.60) HSF1BRD4L3MBTL1EIF2AK2SYK
SCHEMBL6782800 0.88 HSF1 (0.83) HSF1BRD4L3MBTL1EIF2AK2SYK
SCHEMBL27614647 0.87 HSF1 (0.58) HSF1BRD4L3MBTL1EIF2AK2SYK
SCHEMBL6786383 0.87 HSF1 (0.58) HSF1BRD4L3MBTL1EIF2AK2SYK
SCHEMBL9984692 0.85 HSF1 (0.55) HSF1BRD4L3MBTL1EIF2AK2SYK
SCHEMBL6793978 0.82 HSF1 (0.73) HSF1BRD4SYKMAPTNOS1
SCHEMBL9984853 0.82 HSF1 (0.54) HSF1BRD4L3MBTL1EIF2AK2SYK

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-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US claimed
US-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US disclosed
CN-1610667-A 3-nitropyridine derivaives and the pharmaceutical compositions containing said derivatives DONG WHA PHARM IND CO LTD (KR) 2005-04-27 CN disclosed
US-6743795-B1 INHIBITORS FOR HEPATITIS B AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) BECAUSE THEY INTERFERE WITH REMOVAL OF RNA STRAND FROM RNA-DNA HYBRID FORMED DURING THE REVERSE TRANSCRIPTION OF VIRAL RNA TO DNA DONG WHA PHARM. IND. CO. LTD. (KR) 2004-06-01 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-20110306641-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL PREPARATION INCLUDING SAME PTMS, NOS3, NOS1 HSF1 4573/4885BRD4 2172/4885L3MBTL1 4880/4885

“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.