SCHEMBL6402280

SCHEMBL6402280

COc1ccccc1OCc1nnc(S)n1C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
PKM P14618 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.43
APP P05067 1/20 0.43
NPC1 O15118 3/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL12768261 0.85 RAB9A (0.56) RAB9APKMMEN1KMT2ASMN1; SMN2
SCHEMBL6409749 0.82 MEN1 (0.59) RAB9APKMMEN1KMT2ASMN1; SMN2
SCHEMBL6410916 0.81 MAPT (0.50) HTTSMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL6404731 0.79 ALDH1A1 (0.59) RAB9APKMMEN1KMT2AHTT
SCHEMBL6405324 0.74 NPC1 (0.58) RAB9APKMMEN1KMT2AHTT
SCHEMBL12716531 0.70 PKM (0.31) PKM
SCHEMBL6406974 0.70 KMT2A (0.63) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14112929 0.67 PKM (0.45) PKMMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL791853 0.65 HTR1A (0.74) RAB9ASMN1; SMN2ALDH1A1MAPTAPP
SCHEMBL30416387 0.65 HTR1A (0.74) RAB9ASMN1; SMN2ALDH1A1MAPTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 US disclosed
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 US disclosed
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 (2 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 RAB9A 4278/4885PKM 2155/4885MEN1 3562/4885
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase KDM1B, KDM1A, JMJD1C RAB9A 2177/4885PKM 3415/4885MEN1 3296/4885

“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.