SCHEMBL6786629

SCHEMBL6786629

O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)nc1Nc1ccc2cn[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.48
SRC P12931 2/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
TRPV1 Q8NER1 3/20 0.42
PDGFRB P09619 5/20 0.42
PDGFRA P16234 5/20 0.42
MAPT P10636 2/20 0.41
EGFR P00533 2/20 0.41
FGFR1 P11362 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
SYK P43405 1/20 0.39
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
NOS1 P29475 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9985204 0.93 HSF1 (0.57) HSF1SRCHTR2AHTR2CTRPV1
SCHEMBL6788873 0.89 HSF1 (0.53) HSF1TRPV1PDGFRBPDGFRAMAPT
SCHEMBL6787557 0.86 HSF1 (0.52) HSF1TRPV1PDGFRBPDGFRAMAPT
SCHEMBL6786712 0.85 HSF1 (0.49) HSF1TRPV1PDGFRBPDGFRAMAPT
SCHEMBL6793338 0.81 HSF1 (0.64) HSF1TRPV1PDGFRBPDGFRAEGFR
SCHEMBL6789036 0.78 HSF1 (0.62) HSF1
SCHEMBL6787562 0.78 HSF1 (0.59) HSF1TRPV1EGFRPOLB
SCHEMBL9986111 0.76 HSF1 (0.52) HSF1HTR2APDGFRBPDGFRAMAPT
SCHEMBL9984487 0.76 HSF1 (0.59) HSF1POLB
SCHEMBL6789725 0.75 HSF1 (0.59) HSF1MAPTL3MBTL1LMNACYP3A4

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 4573/4885SRC 1882/4885HTR2A 4332/4885

“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.