SCHEMBL5954399

SCHEMBL5954399

COc1ccc(N2C(=O)CN(c3ccc(Cc4ccccc4)cc3)C2=S)cc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
LTA4H P09960 1/20 0.53
HTT P42858 1/20 0.51
TSHR P16473 1/20 0.50
CYP3A4 P08684 1/20 0.47
NR1H3 Q13133 1/20 0.47
POLB P06746 2/20 0.46
GAA P10253 1/20 0.45
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5955047 0.88 KMT2A (0.56) SMN1; SMN2MEN1KMT2ACYP3A4POLB
SCHEMBL5955275 0.88 KMT2A (0.56) SMN1; SMN2MEN1KMT2ACYP3A4POLB
SCHEMBL5955265 0.83 MEN1 (0.54) ALDH1A1MEN1KMT2AHTTCYP3A4
SCHEMBL5954427 0.80 MEN1 (0.52) SMN1; SMN2MEN1KMT2APOLBGAA
SCHEMBL5955007 0.79 MEN1 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AHTT
SCHEMBL5955129 0.77 PLCG1 (0.55) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL1685398 0.76 KMT2A (0.56) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL5954554 0.76 LTA4H (0.50) ALDH1A1MEN1KMT2ALTA4HTSHR
SCHEMBL5955299 0.76 LTA4H (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ALTA4H
SCHEMBL6167967 0.75 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ALTA4HTSHR

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-20060025589-A1 2-Thiohydantoine derivative compounds and use thereof for the treatment of diabetes LABORATOIRES FOURNIER S.A. (FR) 2006-02-02 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-20060025589-A1 2-Thiohydantoine derivative compounds and use thereof for the treatment of diabetes LIPC, CYP4F2, SLC5A2 SMN1; SMN2 4641/4885ALDH1A1 452/4885MEN1 3372/4885

“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.