SCHEMBL9984333

SCHEMBL9984333

NC1CCN(c2ccc(Nc3nc(N4CCOCC4)ccc3[N+](=O)[O-])cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.46
MAPT P10636 8/20 0.46
ALDH1A1 P00352 7/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RET P07949 1/20 0.42
ROS1 P08922 1/20 0.42
FLT3 P36888 1/20 0.42
EML4 Q9HC35 1/20 0.42
ALK Q9UM73 1/20 0.42
SHMT2 P34897 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
BTK Q06187 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL9987452 0.94 ALDH1A1 (0.39) SYKMAPTALDH1A1LMNAHTT
SCHEMBL9985202 0.91 MAPT (0.46) SYKMAPTALDH1A1LMNAHTT
SCHEMBL9984893 0.91 ALDH1A1 (0.45) SYKMAPTALDH1A1LMNAGAA
SCHEMBL9984527 0.90 MAPT (0.43) SYKMAPTALDH1A1RETROS1
SCHEMBL9984347 0.90 MAPT (0.43) SYKMAPTALDH1A1RETROS1
SCHEMBL9983781 0.90 MAPT (0.58) SYKMAPTALDH1A1LMNAHTT
SCHEMBL9984604 0.89 SYK (0.36) SYKMAPTALDH1A1LMNAHTT
SCHEMBL9983771 0.89 FLT3 (0.46) MAPTALDH1A1LMNARETROS1
SCHEMBL9985177 0.89 MAPT (0.42) MAPTALDH1A1LMNAHTTGAA
SCHEMBL9984375 0.89 MAPT (0.54) SYKMAPTALDH1A1LMNAHTT

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 SYK 1244/4885MAPT 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.