SCHEMBL3398237

SCHEMBL3398237

CCNOC(=O)c1csc(Br)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
NPC1 O15118 5/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 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
SCHEMBL595766 0.79 MAOA (0.50) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL285573 0.78 RAB9A (0.66) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL24045452 0.75 CA12 (0.50) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL29660352 0.73 L3MBTL1 (0.43) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL961587 0.73 CA12 (0.52) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL15534755 0.72 MAPT (0.41) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL1272075 0.71 HPGDS (0.50) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL29911112 0.71 CA12 (0.48) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL15104532 0.71 RAB9A (0.45) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL21076842 0.70 HDAC1 (0.38) RAB9ANPC1MAPTALDH1A1MEN1

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-20100216795-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-08-26 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-20100216795-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 RAB9A 1982/4885NPC1 2281/4885MAPT 3204/4885

“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.