SCHEMBL6403222

SCHEMBL6403222

OC(CSc1nnc(-c2cccs2)[nH]1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.35
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 6/20 0.34
KMT2A Q03164 6/20 0.34
HPGD P15428 5/20 0.34
MEN1 O00255 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 4/20 0.34
LMNA P02545 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6403484 0.76 ADORA3 (0.41) GRK6KDM4EALDH1A1KMT2AHPGD
SCHEMBL6410721 0.75 BCAT1 (0.40) GRK6KDM4EALDH1A1KMT2AHPGD
SCHEMBL6411228 0.74 NPY5R (0.38) KDM4EHPGDLMNARAB9ACETP
SCHEMBL6406156 0.74 GRK6 (0.59) GRK6KDM4EALDH1A1KMT2AHPGD
SCHEMBL16171148 0.73 MEN1 (0.54) GRK6KDM4EALDH1A1KMT2AHPGD
SCHEMBL6409758 0.72 SMN1; SMN2 (0.56) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL6403770 0.71 SMN1; SMN2 (0.44) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL6404584 0.71 RAB9A (0.48) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL13832058 0.69 KDM4E (0.40) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL6408914 0.68 ALDH1A1 (0.46) GRK6KDM4EALDH1A1KMT2AHPGD

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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT GRK6 3937/4885KDM4E 3676/4885ALDH1A1 720/4885

“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.