SCHEMBL21695435

SCHEMBL21695435

CC1=C(c2cc(-c3ccc(C)s3)sc2-c2cccs2)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL21291337 0.91 PGR (0.33) MEN1ALDH1A1KMT2AHPGDNPSR1
SCHEMBL14838420 0.89 DPP4 (0.35) MEN1ALDH1A1KMT2AHPGDNPSR1
SCHEMBL14838258 0.89 ALDH1A1 (0.34) MEN1ALDH1A1KMT2AHPGDNPSR1
SCHEMBL16011183 0.86 ALDH1A1 (0.35) MEN1ALDH1A1KMT2AHPGDNPSR1
SCHEMBL21291339 0.85 DPP4 (0.49) MEN1ALDH1A1KMT2AHPGDNPSR1
SCHEMBL21291324 0.85 ALDH1A1 (0.41) MEN1ALDH1A1KMT2AHPGDKDM4E
SCHEMBL16021800 0.83 DPP4 (0.39) MEN1ALDH1A1KMT2AHPGDNPSR1
SCHEMBL16021785 0.83 PDK2 (0.31) MEN1ALDH1A1KMT2AHPGDNPSR1
SCHEMBL21291343 0.82 DPP4 (0.33) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL14838370 0.82 DPP4 (0.32) ALDH1A1KDM4ELMNAGLAGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556912-B2 Diarylethene compounds and uses thereof SWITCH MATERIALS, INC. (CA) 2020-02-11 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 (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-10556912-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B MEN1 4315/4885ALDH1A1 1014/4885KMT2A 1512/4885

“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.