SCHEMBL117726

SCHEMBL117726

CC1C(=S)Nc2c(Cl)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.36
NSD2 O96028 1/20 0.34
BCHE P06276 1/20 0.34
DAO P14920 1/20 0.34
CES1 P23141 1/20 0.34
GAA P10253 3/20 0.34
AGTR1 P30556 1/20 0.34
AHR P35869 1/20 0.33
HTR5A P47898 6/20 0.33
HTR1A P08908 4/20 0.33
HTR1D P28221 4/20 0.33
HTR7 P34969 4/20 0.33
PGR P06401 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.33
HTR3A P46098 1/20 0.33
HTR6 P50406 1/20 0.33
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33

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
SCHEMBL11368666 0.79 ALDH1A1 (0.43) HTR2CDAOHTR5ACA12CA1
SCHEMBL24112226 0.78 PGR (0.49) HTR2CNSD2BCHEDAOCES1
SCHEMBL24112933 0.78 PGR (0.49) HTR2CNSD2BCHEDAOCES1
SCHEMBL5873718 0.68 EGFR (0.47) HTR5AMEN1KMT2AALOX12
SCHEMBL17257671 0.65 HTR2C (0.38) HTR2CNSD2BCHEDAOCES1
SCHEMBL11095090 0.65 SLC6A2 (0.39) HTR2CNSD2BCHEDAOCES1
SCHEMBL24029077 0.63 CACNB4 (0.40) NSD2BCHEDAOCES1AHR
SCHEMBL117727 0.63 CACNB4 (0.40) NSD2BCHEDAOCES1AHR
SCHEMBL23835719 0.63 PGR (0.52) NSD2BCHEDAOCES1GAA
SCHEMBL10840849 0.63 ALDH1A1 (0.45) HTR2CGAAPGRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242934-B2 Process for the preparation of oxindoles and ortho-substituted anilines and their use as intermediates for syntheses BAYER CROPSCIENCE AG (DE) 2016-01-26 US disclosed
EP-2424835-B1 METHOD FOR PRODUCING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES BAYER IP GMBH (DE) 2015-07-01 EP disclosed
CN-102459163-B Process for the preparation of oxindoles and ortho-substituted anilines and their use as synthesis intermediates BAYER CROPSCIENCE AG 2015-05-13 CN disclosed
US-20130281711-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2013-10-24 US disclosed
US-8492590-B2 Process for the preparation of oxindoles and ortho-substituted anilines and their use as intermediates for syntheses BAYER CROPSCIENCE AG (DE) 2013-07-23 US disclosed
WO-2012028162-A1 PROCESS FOR PREPARING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATES FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
EP-2424835-A1 METHOD FOR PRODUCING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATE PRODUCTS FOR SYNTHESES Bayer CropScience AG (DE) 2012-03-07 EP disclosed
US-20110118478-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
WO-2010127786-A1 METHOD FOR PRODUCING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATE PRODUCTS FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2010-11-11 WO disclosed
EP-2246326-A1 Method for producing oxindoles and ortho-substituted anilines and their use as intermediate products for syntheses Bayer CropScience AG (DE) 2010-11-03 EP 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-20110118478-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES TH, OXSR1, AOX1 HTR2C 124/4885NSD2 1498/4885BCHE 619/4885
US-20130281711-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES TH, OXSR1, AOX1 HTR2C 124/4885NSD2 1498/4885BCHE 619/4885

“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.