SCHEMBL15547641

SCHEMBL15547641

O=[N+]([O-])c1ccc(NCCCN2CCOCC2)c(F)c1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.77
POLB P06746 2/20 0.77
PKM P14618 2/20 0.77
ALDH1A1 P00352 4/20 0.76
RAB9A P51151 1/20 0.62
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 3/20 0.50
MAOB P27338 1/20 0.50
KMT2A Q03164 2/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL16583811 0.97 MAPT (0.72) MAPTPOLBPKMALDH1A1RAB9A
SCHEMBL15546620 0.93 PKM (0.66) MAPTPOLBPKMALDH1A1RAB9A
SCHEMBL23609309 0.86 MAPT (0.77) MAPTPOLBPKMALDH1A1RAB9A
SCHEMBL29973542 0.86 MAPT (0.77) MAPTPOLBPKMALDH1A1RAB9A
SCHEMBL23579370 0.85 MAPT (0.72) MAPTPOLBPKMALDH1A1RAB9A
SCHEMBL2376571 0.83 MAPT (0.68) MAPTPOLBPKMALDH1A1RAB9A
SCHEMBL5903469 0.81 POLB (0.66) MAPTPOLBPKMALDH1A1RAB9A
SCHEMBL15544925 0.81 MAPT (0.50) MAPTPOLBPKMALDH1A1KDM4E
SCHEMBL16583870 0.79 ALDH1A1 (0.53) MAPTPOLBPKMALDH1A1RAB9A
SCHEMBL28689384 0.79 MAPT (0.67) MAPTPOLBPKMALDH1A1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875001-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO LTD (CN) 2019-01-09 EP disclosed
US-9434695-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD (CN) 2016-09-06 US disclosed
EP-2875001-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS Sunshine Lake Pharma Co., Ltd. (CN) 2015-05-27 EP disclosed
US-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-26 US disclosed
WO-2014012360-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-01-23 WO 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-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs TNNC1, TNNI3, IAPP MAPT 623/4885POLB 2929/4885PKM 1017/4885

“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.