SCHEMBL4389539

SCHEMBL4389539

Cc1ccccc1CSC1=NOC(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 4/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 1/20 0.38
SLC1A2 P43004 1/20 0.37
GAA P10253 1/20 0.37
METAP2 P50579 1/20 0.37

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
SCHEMBL4387972 0.78 TNF (0.37) SMN1; SMN2KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL20870952 0.71 DAO (0.44) SMN1; SMN2MAPTCYP3A4HPGDALDH1A1
SCHEMBL20855345 0.70 USP2 (0.41) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL20855351 0.70 RAB9A (0.45) SMN1; SMN2MAPTKMT2AMEN1HPGD
SCHEMBL22911700 0.69
SCHEMBL19821083 0.66 SMN1; SMN2 (0.51) SMN1; SMN2TDP1MAPTKMT2ACYP1A2
SCHEMBL20871657 0.65 CHRNA7 (0.32) SMN1; SMN2
SCHEMBL20870955 0.65 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL14234264 0.65 KDM4E (0.38) KMT2ACYP2D6MEN1RAB9AGAA
SCHEMBL10847537 0.64 DAO (0.51) SMN1; SMN2TDP1MAPTKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799657-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2009-12-02 EP disclosed
US-7465805-B2 Isoxazoline derivatives and their use as herbicides SYNGENTA LIMITED (GB) 2008-12-16 US disclosed
US-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-02-28 US disclosed
EP-1799657-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2007-06-27 EP disclosed
WO-2006037945-A1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2006-04-13 WO 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-20080051287-A1 Isoxazoline Derivatives and Their Use as Herbicides CYP4X1, CYP3A7, CYP4Z1 SMN1; SMN2 4098/4885TDP1 1835/4885MAPT 2094/4885

“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.