SCHEMBL9984181

SCHEMBL9984181

CNc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCNCC3)c(F)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 1/20 0.53
MAPT P10636 6/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
BRD4 O60885 5/20 0.43
HTR6 P50406 1/20 0.42
MAPK1 P28482 1/20 0.42
CDK4 P11802 6/20 0.41
CSF1R P07333 3/20 0.41
CDK6 Q00534 3/20 0.41
CCNE1 P24864 4/20 0.41
CDK2 P24941 4/20 0.41
CDK1 P06493 3/20 0.41
CCNB1 P14635 3/20 0.41
CCND1 P24385 3/20 0.41
PIK3CD O00329 1/20 0.40
CCNA2 P20248 1/20 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
SCHEMBL9984032 0.90 MAPT (0.44) HSF1MAPTLMNAGAAALDH1A1
SCHEMBL9984372 0.90 HSF1 (0.53) HSF1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL9984381 0.90 BRD4 (0.57) HSF1MAPTLMNAGAAALDH1A1
Hydrochloric Acid SCHEMBL9987389 0.89 BRD4 (0.56) HSF1MAPTLMNAGAAALDH1A1
SCHEMBL9984353 0.88 HSF1 (0.51) HSF1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL9984955 0.87 BRD4 (0.44) HSF1MAPTLMNAGAAALDH1A1
SCHEMBL9984171 0.87 HSF1 (0.49) HSF1MAPTLMNAGAAALDH1A1
SCHEMBL9984060 0.87 HSF1 (0.49) HSF1MAPTLMNAGAAALDH1A1
SCHEMBL14852358 0.86 MAPT (0.47) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL9987376 0.84 TDP1 (0.48) HSF1MAPTGAAPOLBBRD4

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 HSF1 4685/4885MAPT 4055/4885LMNA 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.