SCHEMBL9983992

SCHEMBL9983992

O=[N+]([O-])c1ccc(N2CCCC(F)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.55
POLB P06746 1/20 0.54
LMNA P02545 1/20 0.52
SIRT6 Q8N6T7 2/20 0.50
ADRB1 P08588 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL6716274 0.84 MAPT (0.56) MAPTALDH1A1MAPK1POLBLMNA
SCHEMBL31481111 0.84 POLB (0.59) MAPTALDH1A1MAPK1POLBLMNA
SCHEMBL25197695 0.82 POLB (0.67) MAPTALDH1A1POLBLMNASIRT6
SCHEMBL30135522 0.82 MAPT (0.61) MAPTALDH1A1MAPK1POLBLMNA
SCHEMBL2018527 0.82 MAPT (0.61) MAPTALDH1A1MAPK1POLBLMNA
SCHEMBL4003069 0.82 MAPT (0.61) MAPTALDH1A1MAPK1POLBLMNA
SCHEMBL4003076 0.82 MAPT (0.61) MAPTALDH1A1MAPK1POLBLMNA
SCHEMBL16651521 0.82 MAPT (0.61) MAPTALDH1A1MAPK1POLBLMNA
SCHEMBL6610334 0.82 MAPT (0.61) MAPTALDH1A1MAPK1POLBLMNA
SCHEMBL28249719 0.81 MAPT (0.56) MAPTALDH1A1MAPK1POLBLMNA

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 2 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 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 2401/4885MAPK1 2569/4885

“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.