SCHEMBL3095225

SCHEMBL3095225

CC(C)(C)CNC(=O)c1csc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ADORA2A P29274 1/20 0.41
HSD17B10 Q99714 2/20 0.39
GABRA5 P31644 1/20 0.39
GABRB2 P47870 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
POLB P06746 3/20 0.36
HTT P42858 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL31560004 0.85 ALDH1A1 (0.46) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL2642628 0.82 ALDH1A1 (0.55) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL3095218 0.82 ADORA2A (0.39) MAPTMEN1ALDH1A1KMT2AADORA2A
SCHEMBL15145971 0.80 MAPT (0.50) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL24419642 0.80 CYP1A2 (0.43) MAPTALDH1A1KMT2ARAB9AADORA2A
SCHEMBL23193124 0.79 TLR7 (0.52) MEN1KMT2ANPC1ADORA2AHIF1A
SCHEMBL9331129 0.79 ALDH1A1 (0.47) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL3818165 0.78 MAPT (0.51) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL27995842 0.78 MAOB (0.46) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL23879878 0.76 ESR1 (0.47) MAPTMEN1ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790712-B2 Substituted [1,4]diazepino[1,2-A]indoles and azepino[1,2-A]indoles as anti-cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-07 US disclosed
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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-20060276453-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPT 1938/4885MEN1 2117/4885ALDH1A1 3894/4885

“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.