SCHEMBL9984032

SCHEMBL9984032

CC(C)(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCNCC3)c(F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSF1 Q00613 1/20 0.43
BRD4 O60885 8/20 0.42
HTR6 P50406 1/20 0.41
MAPK1 P28482 1/20 0.41
JAK2 O60674 5/20 0.40
JAK1 P23458 2/20 0.40
BRD2 P25440 2/20 0.40
JAK3 P52333 2/20 0.40
BRD3 Q15059 2/20 0.40
BRDT Q58F21 2/20 0.40
FLT3 P36888 1/20 0.40
CDK1 P06493 3/20 0.40
CDK4 P11802 3/20 0.40
CCNB1 P14635 3/20 0.40
CCND1 P24385 3/20 0.40

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
SCHEMBL9984181 0.90 HSF1 (0.53) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL9984521 0.90 BRD4 (0.43) MAPTLMNAALDH1A1SMN1; SMN2HSF1
SCHEMBL9984892 0.89 HSF1 (0.41) MAPTALDH1A1HSF1BRD4JAK2
SCHEMBL9984381 0.88 BRD4 (0.57) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL9983960 0.87 MAPT (0.45) MAPTALDH1A1HSF1BRD4MAPK1
Hydrochloric Acid SCHEMBL9987389 0.87 BRD4 (0.56) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL9984955 0.85 BRD4 (0.44) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL14852358 0.84 MAPT (0.47) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL9984883 0.84 MAPT (0.48) MAPTALDH1A1SMN1; SMN2HSF1BRD4
SCHEMBL9984192 0.82 MAPT (0.41) MAPTLMNAGAAALDH1A1HSF1

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 MAPT 4055/4885LMNA 2950/4885GAA 2768/4885

“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.