SCHEMBL19322158

SCHEMBL19322158

Cc1ccc(-c2cn3cc(COc4ccc(F)cc4)ccc3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 5/20 0.64
FFAR1 O14842 9/20 0.62
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
MITF O75030 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KDM5A P29375 1/20 0.54
KDM5C P41229 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
PAX8 Q06710 1/20 0.54
HRH3 Q9Y5N1 2/20 0.51
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.49
APP P05067 1/20 0.48
SLC2A1 P11166 1/20 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
SCHEMBL12797329 0.81 NPC1 (0.69) ALDH1A3FFAR1SMN1; SMN2KDM4EMEN1
SCHEMBL19322163 0.80 ALDH1A3 (0.64) ALDH1A3FFAR1SMN1; SMN2KDM4EMEN1
SCHEMBL1474716 0.79 ALDH1A3 (0.59) ALDH1A3FFAR1SMN1; SMN2KDM4EMEN1
SCHEMBL1691890 0.78 ALDH1A3 (0.82) ALDH1A3SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL21708014 0.78 ALDH1A3 (0.82) ALDH1A3SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL11959895 0.75 MAOB (0.67) SMN1; SMN2NPC1ALDH1A1RAB9AHRH3
SCHEMBL19604518 0.75 MAOB (0.67) SMN1; SMN2NPC1ALDH1A1RAB9AHRH3
SCHEMBL13359717 0.74 NPC1 (0.68) ALDH1A3SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL1472663 0.74 NR4A2 (0.66) ALDH1A3FFAR1SMN1; SMN2KDM4EMEN1
SCHEMBL1474701 0.74 FFAR1 (0.51) ALDH1A3FFAR1SMN1; SMN2KDM4ENPC1

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 ALDH1A3 4058/4885FFAR1 1832/4885SMN1; SMN2 841/4885
US-20170253589-A1 ANTITUMOR DERIVATIVES FOR DIFFERENTIATION THERAPY MYD88, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS ALDH1A3 4058/4885FFAR1 1832/4885SMN1; SMN2 841/4885
US-10370373-B2 Antitumor derivatives for differentiation therapy MYD88, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS ALDH1A3 4058/4885FFAR1 1832/4885SMN1; SMN2 841/4885

“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.