SCHEMBL19322151

SCHEMBL19322151

Cc1ccc(-c2cn3cc(C(=O)N4CCCCC4)ccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.55
NPC1 O15118 9/20 0.55
RAB9A P51151 9/20 0.55
KDM4E B2RXH2 8/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PAX8 Q06710 2/20 0.55
MITF O75030 1/20 0.55
KDM5A P29375 1/20 0.55
KDM5C P41229 1/20 0.55
GAA P10253 4/20 0.54
PKM P14618 1/20 0.52
HSP90AA1 P07900 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HPGD P15428 3/20 0.49
ALDH1A3 P47895 3/20 0.49
SLC2A1 P11166 1/20 0.49
POLB P06746 3/20 0.48
LMNA P02545 2/20 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
SCHEMBL30698327 0.88 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2126791 0.85 HPGDS (0.52) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL19322178 0.80 NPC1 (0.56) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2129032 0.80 ALDH1A1 (0.73) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL15071132 0.78 F2RL1 (0.64) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2127752 0.76 ALDH1A1 (0.75) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL13536268 0.76 HPGD (0.80) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12354846 0.76 HPGD (0.80) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL20460439 0.76 HPGD (0.80) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL257545 0.76 HPGD (0.80) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1

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 ALDH1A1 3309/4885NPC1 3167/4885RAB9A 1723/4885
US-20170253589-A1 ANTITUMOR DERIVATIVES FOR DIFFERENTIATION THERAPY MYD88, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS ALDH1A1 3309/4885NPC1 3167/4885RAB9A 1723/4885
US-10370373-B2 Antitumor derivatives for differentiation therapy MYD88, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS ALDH1A1 3309/4885NPC1 3167/4885RAB9A 1723/4885

“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.