SCHEMBL17871019

SCHEMBL17871019

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ATM Q13315 1/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HCAR3 P49019 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
CDC7 O00311 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
GAA P10253 1/20 0.40

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) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL17870989 0.82 HCAR3 (0.52) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL6353625 0.75 HDAC3 (0.47) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL10999510 0.74 RAB9A (0.51) KMT2AMEN1ATMRAB9ANPC1
SCHEMBL28172644 0.73 KMT2A (0.49) KMT2AMEN1ATMRAB9ANPC1
SCHEMBL17870976 0.72 KMT2A (0.49) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL17870982 0.72 RAB9A (0.48) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL17871038 0.72 KMT2A (0.46) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL22005552 0.71 TDP1 (0.50) KMT2AATMRAB9ANPC1ALDH1A1
SCHEMBL1888902 0.71 CLK1 (0.50) KMT2AATMRAB9ANPC1ALDH1A1

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 KMT2A 1094/4885MEN1 2996/4885ATM 1600/4885

“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.