SCHEMBL17870976

SCHEMBL17870976

CCOC(=O)c1snc(N(Cc2ccccc2)Cc2ccccc2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 8/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CDC7 O00311 2/20 0.43
DBF4 Q9UBU7 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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 0.84 RAB9A (0.48) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL17870999 0.82 NPC1 (0.47) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL28850197 0.81 KMT2A (0.46) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL17871038 0.81 KMT2A (0.46) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL30852499 0.77 CDC7 (0.44) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL28172644 0.76 KMT2A (0.49) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL11001071 0.76 ALDH1A1 (0.57) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL17871019 0.72 KMT2A (0.43) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL16986060 0.72 HPGD (0.47) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL9637422 0.72 L3MBTL1 (0.55) KMT2ANPC1RAB9AALDH1A1LMNA

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 KMT2A 1094/4885NPC1 1696/4885RAB9A 3210/4885

“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.