SCHEMBL17871015

SCHEMBL17871015

O=Cc1c(N(Cc2ccccc2)Cc2ccccc2)nsc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.39
RAB9A P51151 3/20 0.38
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PTPRC P08575 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL17870982 0.85 RAB9A (0.48) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL28172711 0.80 HCAR3 (0.40) HCAR3RAB9AMMP1MMP2MMP9
SCHEMBL17871011 0.77 HCAR3 (0.38) HCAR3RAB9AMMP1MMP2MMP9
SCHEMBL17871021 0.76 MEN1 (0.38) HCAR3MMP1MMP2MMP9MMP13
SCHEMBL17870989 0.65 HCAR3 (0.52) HCAR3RAB9AMMP1MMP2MMP9
SCHEMBL24132784 0.61 CYP2C19 (0.43) RAB9AMEN1KMT2AALDH1A1CRHBP
SCHEMBL24132179 0.61 CYP2C19 (0.51) RAB9AALDH1A1CRHBPCRHR2NPSR1
SCHEMBL3629686 0.61 NR3C1 (0.46) RAB9AALDH1A1KDM4ECRHBPCRHR2
SCHEMBL7405546 0.60 NPC1 (0.48) RAB9AMEN1KMT2AALDH1A1NPSR1
SCHEMBL10965506 0.60 TSHR (0.57) RAB9AKMT2AALDH1A1KDM4ECRHBP

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-20190110476-A1 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-18 US disclosed
EP-3236752-A2 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2017-11-01 EP disclosed
WO-2016102435-A2 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-30 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-20190110476-A1 NOVEL ISOTHIAZOLAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES CYP4Z1, CYP51A1, CBR3 HCAR3 1792/4885RAB9A 3210/4885MMP1 3669/4885

“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.