SCHEMBL19322178

SCHEMBL19322178

O=C(c1ccc(-c2cn3ccccc3n2)cc1)N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.56
RAB9A P51151 8/20 0.56
KDM4E B2RXH2 5/20 0.56
GFER P55789 2/20 0.56
HPGD P15428 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
HDAC6 Q9UBN7 1/20 0.51
GAA P10253 2/20 0.50
PKM P14618 2/20 0.50

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
SCHEMBL19322175 0.86 KDM4E (0.60) NPC1RAB9AKDM4EGFERHPGD
SCHEMBL17404514 0.84 FASN (0.62) NPC1RAB9AKDM4EGFERHPGD
SCHEMBL13325928 0.81 RAB9A (0.68) NPC1RAB9AKDM4EGFERHPGD
SCHEMBL25311377 0.81 KDM4E (0.62) NPC1RAB9AKDM4EGFERHPGD
SCHEMBL19322151 0.80 ALDH1A1 (0.55) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL3440320 0.80 RAB9A (0.66) NPC1RAB9AKDM4EGFERHPGD
SCHEMBL3663283 0.79 CLK1 (0.66) NPC1RAB9AKDM4EGFERHPGD
SCHEMBL3441125 0.79 RAB9A (0.66) NPC1RAB9AKDM4EGFERHPGD
SCHEMBL2427998 0.79 RAB9A (0.64) NPC1RAB9AKDM4EGFERHPGD
SCHEMBL19322173 0.78 RAB9A (0.60) NPC1RAB9AKDM4EGFERHPGD

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-10370373-B2 Antitumor derivatives for differentiation therapy THE CLEVELAND CLINIC FOUNDATION (US) 2019-08-06 US disclosed
US-20180194764-A1 ANTITUMOR DERIVATIVES FOR DIFFERENTIATION THERAPY CLEVELAND CLINIC FOUND (US) 2018-07-12 US disclosed
US-9926316-B2 Antitumor derivatives for differentiation therapy THE CLEVELAND CLINIC FOUNDATION (US) 2018-03-27 US disclosed
US-20170253589-A1 ANTITUMOR DERIVATIVES FOR DIFFERENTIATION THERAPY THE CLEVELAND CLINIC FOUNDATION 2017-09-07 US 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 (3 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-20180194764-A1 ANTITUMOR DERIVATIVES FOR DIFFERENTIATION THERAPY MYD88, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS NPC1 3167/4885RAB9A 1723/4885KDM4E 1060/4885
US-20170253589-A1 ANTITUMOR DERIVATIVES FOR DIFFERENTIATION THERAPY MYD88, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS NPC1 3167/4885RAB9A 1723/4885KDM4E 1060/4885
US-10370373-B2 Antitumor derivatives for differentiation therapy MYD88, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS NPC1 3167/4885RAB9A 1723/4885KDM4E 1060/4885

“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.