SCHEMBL15545810

SCHEMBL15545810

Nc1ccc(NCCCCN2CCOCC2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.44
ACP1 P24666 1/20 0.43
MELK Q14680 1/20 0.43
NQO1 P15559 1/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.41
AXL P30530 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
SCHEMBL16583870 0.96 ALDH1A1 (0.53) ALDH1A1POLBMAPTPKMRAB9A
SCHEMBL15557738 0.91 ALDH1A1 (0.49) ALDH1A1POLBMAPTPKMRAB9A
SCHEMBL3443263 0.82 RAB9A (0.42) ALDH1A1MAPTRAB9AKDM4E
SCHEMBL28350745 0.81 ALDH1A1 (0.39) ALDH1A1MAPTGAA
SCHEMBL23609455 0.80 RAB9A (0.55) ALDH1A1POLBMAPTPKMRAB9A
SCHEMBL30406559 0.80 RAB9A (0.55) ALDH1A1POLBMAPTPKMRAB9A
SCHEMBL16583811 0.80 MAPT (0.72) ALDH1A1POLBMAPTPKMRAB9A
SCHEMBL20607648 0.78 NPC1 (0.48) ALDH1A1POLBMAPTPKMRAB9A
SCHEMBL16583873 0.77 SIGMAR1 (0.45) ACP1
SCHEMBL23609361 0.77 MAPT (0.50) ALDH1A1POLBMAPTPKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1530/4885POLB 2929/4885MAPT 623/4885

“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.