SCHEMBL17870989

SCHEMBL17870989

O=C(O)c1cc(N(Cc2ccccc2)Cc2ccccc2)ns1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.52
DAO P14920 1/20 0.41
HCAR2 Q8TDS4 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.37
PTPN1 P18031 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
HDAC3 O15379 2/20 0.36

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
SCHEMBL20714010 0.84 HCAR3 (0.44) HCAR3HCAR2CRHBPCRHR2POLB
SCHEMBL17871019 0.82 KMT2A (0.43) HCAR3POLBNPC1RAB9AMEN1
SCHEMBL4677165 0.69 DAO (0.44) HCAR3DAOCRHBPCRHR2POLB
SCHEMBL28172711 0.67 HCAR3 (0.40) HCAR3CRHBPCRHR2MMP1MMP2
SCHEMBL1720417 0.67 HCAR3 (0.60) HCAR3MEN1KMT2ATSHR
SCHEMBL6843818 0.66 TP53 (0.44) POLBTP53NPC1RAB9AMEN1
SCHEMBL17870980 0.66 CYP2C19 (0.44) HCAR3CRHBPCRHR2KMT2ATSHR
SCHEMBL23113685 0.65 PTPN1 (0.55) HCAR3CRHBPCRHR2PTPN1MEN1
SCHEMBL5041224 0.65 HCAR3 (0.48) HCAR3MMP1MMP2MMP9MMP13
SCHEMBL653857 0.62 CYP2C19 (0.58) DAOCRHBPCRHR2PTPN1MEN1

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 4 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
CN-107205394-A New isothiazole acid amides, its preparation method and its purposes as fungicide 拜耳作物科学股份公司 2017-09-26 CN 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 1792/4885DAO 1077/4885HCAR2 1869/4885

“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.