SCHEMBL16199563

SCHEMBL16199563

N#Cc1cc2c(cc1N1CCCC1)OCCOCCOCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
HPGD P15428 4/20 0.50
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
CASP1 P29466 3/20 0.50
CASP7 P55210 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 2/20 0.46
MAPK1 P28482 3/20 0.45
AR P10275 1/20 0.43
HTT P42858 3/20 0.42

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
SCHEMBL16199562 0.94 MAPK1 (0.47) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL31633231 0.79 MAPT (0.45) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL9235864 0.73 NPC1 (0.44) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL16917441 0.72 HTT (0.41) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL16199533 0.71 MAPT (0.47) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL16252949 0.71 MAPT (0.39) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL1855065 0.69 NPC1 (0.41) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL21561012 0.69 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL21561026 0.69 MAPK1 (0.57) ALDH1A1HPGDKDM4EHSD17B10CASP1
SCHEMBL16199530 0.69 MAPT (0.60) ALDH1A1HPGDMEN1KMT2ALMNA

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-20140343283-A1 METHODS OF PREPARING ICOTINIB AND ICOTINIB HYDROCHLORIDE, AND INTERMEDIATES THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2014-11-20 US disclosed
US-20140343283-A1 METHODS OF PREPARING ICOTINIB AND ICOTINIB HYDROCHLORIDE, AND INTERMEDIATES THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2014-11-20 US disclosed
EP-2796461-A1 METHODS OF PREPARING ICOTINIB AND ICOTINIB HYDROCHLORIDE, AND INTERMEDIATES THEREOF Beta Pharmaceuticals Co., Ltd. (CN) 2014-10-29 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-20140343283-A1 METHODS OF PREPARING ICOTINIB AND ICOTINIB HYDROCHLORIDE, AND INTERMEDIATES THEREOF ABL1, JAK2, ALK ALDH1A1 2825/4885HPGD 4001/4885KDM4E 2328/4885

“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.