SCHEMBL9984465

SCHEMBL9984465

O=[N+]([O-])c1ccc(NCc2cccnc2)nc1Nc1ccc(-c2csc(C3CCCCC3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
PDE5A O76074 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCL6 P41182 1/20 0.36
BCOR Q6W2J9 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TP53 P04637 1/20 0.36
NTRK1 P04629 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR6 P50406 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL9983861 0.91 ALDH1A1 (0.40) ADRB1ADRB3NPC1MEN1KMT2A
SCHEMBL9984328 0.85 KDM4E (0.42) ADRB3NPC1L3MBTL1BCL6BCOR
SCHEMBL9984114 0.83 SMN1; SMN2 (0.41) ADRB1ADRB3NPC1ALDH1A1NTRK1
SCHEMBL9984326 0.82 HSF1 (0.45) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9985285 0.82 SMN1; SMN2 (0.40) ADRB1ADRB3NPC1L3MBTL1MEN1
SCHEMBL9983846 0.81 DRD2 (0.38) ADRB1ADRB3NPC1MEN1KMT2A
SCHEMBL9984823 0.80 BRD4 (0.49) NPC1ALDH1A1NTRK1SMN1; SMN2
SCHEMBL9984250 0.80 SMN1; SMN2 (0.43) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9983549 0.80 MEN1 (0.39) NPC1L3MBTL1BCL6BCORMEN1
SCHEMBL9984468 0.80 ADRB1 (0.40) ADRB1ADRB3NPC1L3MBTL1MEN1

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 ADRB1 612/4885ADRB3 444/4885PDE5A 25/4885

“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.