SCHEMBL7084982

SCHEMBL7084982

O=C(NCO)c1snc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13515535 0.86 ALDH1A1 (0.42) ALDH1A1HTTKDM4EHPGDMAPK1
SCHEMBL7084568 0.84 ROCK2 (0.37) ALDH1A1HTTKDM4EHPGDMAPK1
SCHEMBL3566444 0.84 LMNA (0.42) ALDH1A1HTTKDM4EHPGDMAPK1
SCHEMBL22263190 0.82 KDM4E (0.43) ALDH1A1HTTKDM4EHPGDMAPK1
SCHEMBL7088428 0.80 ALDH1A1 (0.42) ALDH1A1HTTKDM4EHPGDMAPK1
SCHEMBL7073731 0.80 ALDH1A1 (0.37) ALDH1A1HTTKDM4EHPGDMAPK1
SCHEMBL7482755 0.77 KDM4E (0.44) ALDH1A1HTTKDM4EHPGDMAPK1
SCHEMBL9465986 0.76 NAAA (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9466305 0.76 NAAA (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7088251 0.73 HPGD (0.43) ALDH1A1HTTKDM4EHPGDMAPK1

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-20030176477-A1 Isothiazolecarboxylic acid derivatives and their use as microbicides NIHON BAYER AGROCHEM, K.K. (JP) 2003-09-18 US disclosed
EP-1261592-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2002-12-04 EP disclosed
WO-2001055124-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-08-02 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-20030176477-A1 Isothiazolecarboxylic acid derivatives and their use as microbicides IFNG, MPO, CD14 ALDH1A1 430/4885HTT 4571/4885KDM4E 1377/4885

“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.