SCHEMBL17871011

SCHEMBL17871011

O=C(O)c1snc(N(Cc2ccccc2)Cc2ccccc2)c1C(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.38
ATM Q13315 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
PTPRC P08575 1/20 0.34
TP53 P04637 1/20 0.34
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN1 P18031 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL28172711 0.79 HCAR3 (0.40) HCAR3ATMCRHBPCRHR2MMP1
SCHEMBL17871015 0.77 HCAR3 (0.39) HCAR3ATMCRHBPCRHR2MMP1
SCHEMBL17871021 0.75 MEN1 (0.38) HCAR3MMP1MMP2MMP9MMP13
SCHEMBL17870982 0.66 RAB9A (0.48) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL17870989 0.64 HCAR3 (0.52) HCAR3CRHBPCRHR2MMP1MMP2
SCHEMBL6952400 0.61 PTPN1 (0.68) CRHBPCRHR2MEN1KMT2APTPN1
SCHEMBL6398244 0.61 NPC1 (0.50) CRHBPCRHR2MEN1KMT2ATDP1
SCHEMBL653857 0.58 CYP2C19 (0.58) CRHBPCRHR2CNR2MEN1KMT2A
SCHEMBL6118873 0.58 PTPN1 (0.50) HCAR3KMT2APTPN1HPGD
SCHEMBL4677165 0.58 DAO (0.44) HCAR3CRHBPCRHR2MEN1KMT2A

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 1792/4885ATM 1600/4885CRHBP 4301/4885

“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.