SCHEMBL19322166

SCHEMBL19322166

O=C(CC1CCCCC1)Nc1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.58
ALDH1A1 P00352 10/20 0.58
NPC1 O15118 8/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
RAB9A P51151 7/20 0.58
HPGD P15428 6/20 0.58
ADRB2 P07550 1/20 0.58
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HTT P42858 2/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
EPHX2 P34913 2/20 0.55
MAPT P10636 4/20 0.54
POLB P06746 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL1494939 0.81 ALDH1A1 (0.77) KDM4EALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL19322181 0.77 ALDH1A1 (0.59) KDM4EALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL1494782 0.77 KDM4E (0.75) KDM4EALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL19322172 0.76 RAB9A (0.56) KDM4EALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL19322176 0.75 KDM4E (0.82) KDM4EALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL19322287 0.74 ALDH1A1 (0.57) KDM4EALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL4728069 0.74 NPC1 (0.67) KDM4EALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL1662102 0.74 KDM4E (0.63) KDM4EALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL3822162 0.73 EPHX2 (1.00) NPC1SMN1; SMN2RAB9AHPGDTSHR
SCHEMBL1494571 0.72 KDM4E (0.77) KDM4EALDH1A1NPC1SMN1; SMN2RAB9A

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 KDM4E 1060/4885ALDH1A1 3309/4885NPC1 3167/4885
US-20170253589-A1 ANTITUMOR DERIVATIVES FOR DIFFERENTIATION THERAPY MYD88, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS KDM4E 1060/4885ALDH1A1 3309/4885NPC1 3167/4885
US-10370373-B2 Antitumor derivatives for differentiation therapy MYD88, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS KDM4E 1060/4885ALDH1A1 3309/4885NPC1 3167/4885

“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.