SCHEMBL9985174

SCHEMBL9985174

CC(C)Nc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCSCC3)c(F)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.55
HSF1 Q00613 1/20 0.40
CSF1R P07333 1/20 0.40
CDK6 Q00534 1/20 0.40
NTRK1 P04629 1/20 0.40
MAPT P10636 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SYK P43405 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.35
BCL2L2 Q92843 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
SCHEMBL9984854 0.92 BRD4 (0.57) BRD4HSF1NTRK1MAPTCYP1A2
SCHEMBL9984353 0.90 HSF1 (0.51) BRD4HSF1CSF1RCDK6MAPT
SCHEMBL9984381 0.89 BRD4 (0.57) BRD4HSF1CSF1RCDK6NTRK1
SCHEMBL9983279 0.88 BRD4 (0.42) BRD4HSF1CSF1RCDK6NTRK1
Hydrochloric Acid SCHEMBL9987389 0.88 BRD4 (0.56) BRD4HSF1CSF1RCDK6NTRK1
SCHEMBL9984892 0.88 HSF1 (0.41) BRD4HSF1CSF1RCDK6MAPT
SCHEMBL9983765 0.87 BRD4 (0.53) BRD4HSF1NTRK1MAPTCYP1A2
SCHEMBL9984423 0.87 BRD4 (0.53) BRD4HSF1CSF1RCDK6NTRK1
SCHEMBL9987584 0.85 BRD4 (0.51) BRD4NTRK1MAPTCYP2C19CYP2C9
SCHEMBL9984137 0.84 BRD4 (0.50) BRD4NTRK1MAPTCYP1A2CYP2C19

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 4685/4885CSF1R 89/4885

“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.