SCHEMBL15469622

SCHEMBL15469622

CSc1cnc2ccc(OC(SC)C(=O)NC(C)(C)c3cc(C)on3)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
PKM P14618 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
F2 P00734 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HPGDS O60760 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL15469672 0.90 KMT2A (0.34) KMT2APKMRXFP1NPSR1LMNA
SCHEMBL15469630 0.90 ALDH1A1 (0.33) ALDH1A1F2GLAHPGD
SCHEMBL15469664 0.89 RAB9A (0.32) ALDH1A1F2GLAHPGDNPC1
SCHEMBL15469667 0.89 ALDH1A1 (0.30) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL15469611 0.88 KMT2A (0.33) KMT2APKMRXFP1NPSR1LMNA
SCHEMBL15469661 0.87 RAB9A (0.34) LMNAALDH1A1F2GLAHPGD
SCHEMBL12966792 0.85 ALDH1A1 (0.33) ALDH1A1F2GLAHPGDNPC1
SCHEMBL15469631 0.83 ALDH1A1 (0.31) ALDH1A1F2GLAHPGD
SCHEMBL12181854 0.81 ALDH1A1 (0.37) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL15469621 0.80 ALDH1A1 (0.31) ALDH1A1F2GLAHPGD

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-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 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-20140045890-A1 NOVEL COMPOUNDS CYP1B1, CYP1A1, CYP51A1 KMT2A 3332/4885PKM 2651/4885RXFP1 1446/4885

“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.