SCHEMBL9984464

SCHEMBL9984464

CC(C)CNc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCC(O)CC3)c(F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 6/20 0.41
CSF1R P07333 1/20 0.40
CDK4 P11802 1/20 0.40
CDK6 Q00534 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
PDE7A Q13946 2/20 0.38
RET P07949 1/20 0.38
ROS1 P08922 1/20 0.38
FLT3 P36888 1/20 0.38
EML4 Q9HC35 1/20 0.38
ALK Q9UM73 1/20 0.38
NTRK1 P04629 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL9984243 0.92 BRD4 (0.41) MAPTALDH1A1BRD4CYP1A2CYP2C9
SCHEMBL9987060 0.91 TDP1 (0.43) MAPTMEN1KMT2ABRD4CYP2C9
SCHEMBL9983948 0.90 MAPT (0.46) MAPTALDH1A1BRD4CYP1A2CYP2C9
SCHEMBL9984225 0.90 MAPT (0.47) MAPTALDH1A1MEN1KMT2ABRD4
SCHEMBL9984423 0.89 BRD4 (0.53) MAPTALDH1A1MEN1KMT2ABRD4
SCHEMBL9983279 0.88 BRD4 (0.42) MAPTALDH1A1BRD4CSF1RCDK6
SCHEMBL9984955 0.88 BRD4 (0.44) MAPTALDH1A1BRD4CSF1RCDK4
SCHEMBL9984171 0.88 HSF1 (0.49) MAPTALDH1A1MEN1KMT2ABRD4
SCHEMBL9983960 0.86 MAPT (0.45) MAPTALDH1A1MEN1KMT2ABRD4
SCHEMBL9984835 0.86 BRD4 (0.39) MAPTALDH1A1BRD4CYP1A2CYP2C9

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 3 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
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 4055/4885ALDH1A1 2401/4885MEN1 2648/4885

“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.