SCHEMBL17870982

SCHEMBL17870982

CCOC(=O)c1snc(N(Cc2ccccc2)Cc2ccccc2)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 7/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CDC7 O00311 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 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
SCHEMBL28850197 0.85 KMT2A (0.46) RAB9AKMT2ANPC1ALDH1A1HPGD
SCHEMBL17871015 0.85 HCAR3 (0.39) RAB9AKMT2ANPC1ALDH1A1MAPT
SCHEMBL17870976 0.84 KMT2A (0.49) RAB9AKMT2ANPC1ALDH1A1HPGD
SCHEMBL17870999 0.81 NPC1 (0.47) RAB9AKMT2ANPC1ALDH1A1HPGD
SCHEMBL17871038 0.81 KMT2A (0.46) RAB9AKMT2ANPC1ALDH1A1HPGD
SCHEMBL28172644 0.75 KMT2A (0.49) RAB9AKMT2ANPC1ALDH1A1HPGD
SCHEMBL17871019 0.72 KMT2A (0.43) RAB9AKMT2ANPC1ALDH1A1HPGD
SCHEMBL4504653 0.68 ALDH1A1 (0.51) RAB9AKMT2ANPC1ALDH1A1HPGD
SCHEMBL7296075 0.67 TSHR (0.59) RAB9AKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL6353625 0.67 HDAC3 (0.47) RAB9AKMT2ANPC1ALDH1A1HPGD

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

“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.