SCHEMBL9984371

SCHEMBL9984371

NC1CCN(c2ccc(Nc3nc(NCc4ccncc4)ccc3[N+](=O)[O-])cc2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BRD4 O60885 3/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RET P07949 2/20 0.35
ROS1 P08922 2/20 0.35
FLT3 P36888 2/20 0.35
EML4 Q9HC35 1/20 0.35
ALK Q9UM73 1/20 0.35
SERPINE1 P05121 2/20 0.35
HSF1 Q00613 1/20 0.35
SYK P43405 2/20 0.34
HTR6 P50406 1/20 0.33
NTRK1 P04629 1/20 0.33
SIRT5 Q9NXA8 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
SCHEMBL9984257 0.92 MAPT (0.41) HTTMAPTALDH1A1POLBTDP1
SCHEMBL9983903 0.91 MAPT (0.42) HTTMAPTALDH1A1POLBLMNA
SCHEMBL9984165 0.91 MAPT (0.44) HTTMAPTALDH1A1POLBTDP1
SCHEMBL9987164 0.90 TDP1 (0.42) HTTMAPTALDH1A1POLBTDP1
SCHEMBL9984658 0.88 MAPT (0.40) HTTMAPTALDH1A1POLBTDP1
SCHEMBL9984243 0.85 BRD4 (0.41) HTTMAPTALDH1A1BRD4MAPK1
SCHEMBL9984315 0.85 MAPT (0.40) HTTMAPTALDH1A1POLBTDP1
SCHEMBL9984258 0.84 MAPT (0.40) HTTMAPTALDH1A1POLBTDP1
SCHEMBL9984060 0.84 HSF1 (0.49) HTTMAPTALDH1A1BRD4LMNA
SCHEMBL9984406 0.83 HRH3 (0.40) HTTMAPTALDH1A1POLBTDP1

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 HTT 4749/4885MAPT 4055/4885ALDH1A1 2401/4885

“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.