SCHEMBL9985366

SCHEMBL9985366

CC(=O)c1cccc(Nc2nc(NCc3cccnc3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 5/20 0.50
MAPT P10636 7/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.45
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NAMPT P43490 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
BCL6 P41182 1/20 0.43
BCOR Q6W2J9 1/20 0.43
HTR6 P50406 1/20 0.42

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
SCHEMBL9984898 0.90 MAPT (0.48) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL9984469 0.86 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9985086 0.81 BRD4 (0.47) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9984361 0.80 HSF1 (0.55) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9984038 0.79 PLK1 (0.50) ALDH1A1MAPTMEN1KMT2ACDK5
SCHEMBL9984953 0.78 BRD4 (0.45) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6793673 0.78 HSF1 (0.65) ALDH1A1MAPTCDK5CDK5R1HTT
SCHEMBL6783868 0.78 HSF1 (0.55) ALDH1A1MAPTPOLBCDK5CDK5R1
SCHEMBL9984677 0.78 BRD4 (0.60) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9985368 0.77 ALDH1A1 (0.45) TSHRALDH1A1MAPTMEN1KMT2A

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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US claimed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 EP claimed
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US disclosed
EP-2394993-A2 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Dong Wha Pharm. Co., Ltd. (KR) 2011-12-14 EP 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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 TSHR 4536/4885ALDH1A1 2401/4885MAPT 4055/4885

“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.