SCHEMBL116596

SCHEMBL116596

CC1C(=S)Nc2c(F)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
HTR5A P47898 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PGR P06401 1/20 0.31

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) MEN1KMT2AHTR5ACA12CA1
SCHEMBL24112851 0.78 MEN1 (0.42) MEN1KMT2AGAACA12CA1
SCHEMBL117726 0.78 HTR2C (0.36) MEN1KMT2AGAAMAPTCACNA1B
SCHEMBL24112722 0.78 MEN1 (0.42) MEN1KMT2AGAACA12CA1
SCHEMBL6639940 0.73 NOS3 (0.44) CHRNB2CHRNA4GAAMAPTGFER
SCHEMBL2872999 0.70 ALDH1A1 (0.38) GAAALDH1A1NPSR1TDP1PTPN7
SCHEMBL5873718 0.68 EGFR (0.47) MEN1KMT2AHTR5AALDH1A1
SCHEMBL18553863 0.67 ALDH1A1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL13061796 0.64 KDM1A (0.40) MEN1KMT2ACHRNB2CHRNA4MAPT
SCHEMBL18553860 0.64 MEN1 (0.40) MEN1KMT2AGAAMAPTCA12

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 9 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
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 (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-20130281711-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES TH, OXSR1, AOX1 MEN1 3478/4885KMT2A 1699/4885CHRNB2 2704/4885

“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.