SCHEMBL9984037

SCHEMBL9984037

CCCCc1ccc(Nc2nc(NC(CC)n3ccnc3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
HSF1 Q00613 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
STING1 Q86WV6 1/20 0.34
BACE1 P56817 1/20 0.34
CYP26A1 O43174 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL9984879 0.89 BRD4 (0.45) BRD4SMN1; SMN2LMNAHSF1NPC1
SCHEMBL9984119 0.88 BRD4 (0.44) BRD4LMNAHSF1NPC1RAB9A
SCHEMBL9984994 0.87 BRD4 (0.43) BRD4HSF1NPC1RAB9AALDH1A1
SCHEMBL9985176 0.85 CYP17A1 (0.43) BRD4HSF1NPC1RAB9ACYP26A1
SCHEMBL9985113 0.85 EGFR (0.43) BRD4LMNAHSF1NPC1RAB9A
SCHEMBL9985029 0.85 BRD4 (0.42) BRD4SMN1; SMN2LMNAHSF1NPC1
SCHEMBL9983283 0.85 GAA (0.43) BRD4NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL9984024 0.84 BRD4 (0.41) BRD4HSF1NPC1RAB9ACYP26A1
SCHEMBL9984735 0.82 BRD4 (0.45) BRD4HSF1RAB9AL3MBTL1CYP26A1
SCHEMBL9984881 0.81 CYP17A1 (0.48) BRD4SMN1; SMN2LMNAALDH1A1HPGD

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 1137/4885SMN1; SMN2 2176/4885LMNA 2950/4885

“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.