Sugi Predict

Sugi Predict / Compounds / SCHEMBL9984879

SCHEMBL9984879

SCHEMBL9984879

CCC(Nc1ccc([N+](=O)[O-])c(Nc2ccc(C)cc2)n1)n1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.45
▸ HSF1 Q00613 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP26A1 O43174 2/20 0.37
▸ CYP19A1 P11511 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL9984119 0.93 BRD4 (0.44) BRD4HSF1MAPTMAPK1NPC1
SCHEMBL9984994 0.92 BRD4 (0.43) BRD4HSF1MAPTMAPK1NPC1
SCHEMBL9985113 0.90 EGFR (0.43) BRD4HSF1MAPTMAPK1NPC1
SCHEMBL9985029 0.90 BRD4 (0.42) BRD4HSF1MAPTMAPK1NPC1
SCHEMBL9985176 0.90 CYP17A1 (0.43) BRD4HSF1MAPTMAPK1NPC1
SCHEMBL9983283 0.90 GAA (0.43) BRD4MAPTMAPK1NPC1RAB9A
SCHEMBL9984024 0.89 BRD4 (0.41) BRD4HSF1MAPTMAPK1NPC1
SCHEMBL9984037 0.89 BRD4 (0.41) BRD4HSF1MAPTMAPK1NPC1
SCHEMBL9984735 0.87 BRD4 (0.45) BRD4HSF1MAPTRAB9AL3MBTL1
SCHEMBL9984881 0.86 CYP17A1 (0.48) BRD4MAPTMAPK1LMNATDP1

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 BRD4 1137/4885HSF1 4685/4885MAPT 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.