SCHEMBL6405965

SCHEMBL6405965

CCCCSc1nnc(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
HTT P42858 3/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 3/20 0.42
CYP1A2 P05177 3/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MAPK14 Q16539 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
GPR84 Q9NQS5 1/20 0.38
XDH P47989 1/20 0.38
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6407548 0.83 CYP2C9 (0.52) KDM4EHTTTSHRALDH1A1CYP2C19
SCHEMBL6405244 0.80 LMNA (0.45) KDM4EHTTTSHRALDH1A1CYP2C19
SCHEMBL6408541 0.79 KDM4E (0.43) KDM4EHTTTSHRALDH1A1CYP2C19
SCHEMBL6403347 0.75 KMT2A (0.37) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL23527231 0.70 ALDH1A1 (0.50) KDM4EALDH1A1CYP2C19CYP2C9CYP1A2
SCHEMBL24317550 0.69 NPC1 (0.47) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL424976 0.68 MAOA (0.53) TSHRALDH1A1XDH
SCHEMBL20456912 0.67 KDM4E (0.57) KDM4EHTTTSHRALDH1A1CYP2C19
SCHEMBL23527273 0.67 RARB (0.44) KDM4EALDH1A1CYP2C19CYP2C9CYP1A2
SCHEMBL6404070 0.67 SCN9A (0.49) HTTNPC1RAB9AMAPTSMN1; SMN2

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 KDM4E 3676/4885HTT 2113/4885TSHR 3470/4885

“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.