SCHEMBL442529

SCHEMBL442529

N#Cc1c(Cc2ccc(Cl)cc2)nsc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
RET P07949 1/20 0.38
HSP90AB1 P08238 1/20 0.36
KDM4E B2RXH2 5/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
PPARG P37231 1/20 0.35
STAT3 P40763 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35

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
SCHEMBL442518 0.84 HIF1A (0.41) HIF1AALDH1A1MEN1MAPTKMT2A
SCHEMBL9013559 0.84 ALDH1A1 (0.40) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL10707090 0.73 NPSR1 (0.43) ALDH1A1MEN1MAPTKMT2AADORA3
SCHEMBL11203252 0.70 GAA (0.38) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL11765477 0.67 MAPK1 (0.50) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL7151799 0.67
SCHEMBL11203981 0.65 ALDH1A1 (0.40) HIF1AALDH1A1MEN1MAPTKMT2A
SCHEMBL9350181 0.64 ADORA2A (0.43) ALDH1A1MEN1MAPTKMT2AADORA2A
SCHEMBL31739252 0.63 MAOA (0.61) MAPTLMNAHTT
SCHEMBL1154450 0.62 NPC1 (0.41) ALDH1A1MEN1MAPTKMT2AKDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102388027-B Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG 2015-07-01 CN disclosed
US-8470739-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENE AG (DE) 2013-06-25 US disclosed
US-8470739-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENE AG (DE) 2013-06-25 US disclosed
US-8470739-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENE AG (DE) 2013-06-25 US disclosed
US-8138211-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-8138211-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-8138211-B2 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-20120065061-A1 ISOTHIAZOLYLOXYPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
US-20120065061-A1 ISOTHIAZOLYLOXYPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
US-20120065061-A1 ISOTHIAZOLYLOXYPHENYLAMIDINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
EP-2391612-A1 Isothiazolyloxyphenyl amidines and use thereof as fungicides Bayer CropScience AG (DE) 2011-12-07 EP disclosed
US-20110130282-A1 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG (DE) 2011-06-02 US disclosed
US-20110130282-A1 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG (DE) 2011-06-02 US disclosed
US-20110130282-A1 Isothiazolyloxyphenylamidines and their use as fungicides BAYER CROPSCIENCE AG (DE) 2011-06-02 US disclosed
EP-2223917-A1 Isothiazolyloxyphenylamidines and their use as fungicides Bayer CropScience AG (DE) 2010-09-01 EP disclosed
EP-2223917-A1 Isothiazolyloxyphenylamidines and their use as fungicides Bayer CropScience AG (DE) 2010-09-01 EP disclosed
WO-2010086118-A1 ISOTHIAZOLYLOXYPHENYL AMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-08-05 WO disclosed
WO-2010086118-A1 ISOTHIAZOLYLOXYPHENYL AMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-08-05 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 (2 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-20120065061-A1 ISOTHIAZOLYLOXYPHENYLAMIDINES AND THEIR USE AS FUNGICIDES DDT, CYP3A5, INMT HIF1A 4399/4885ALDH1A1 526/4885MEN1 784/4885
US-20110130282-A1 Isothiazolyloxyphenylamidines and their use as fungicides DDT, CYP3A5, INMT HIF1A 4399/4885ALDH1A1 526/4885MEN1 784/4885

“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.