SCHEMBL116597

SCHEMBL116597

CSC1C(=O)Nc2c(F)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ALOX15 P16050 2/20 0.33
PTPN7 P35236 1/20 0.33
TP53 P04637 1/20 0.33
AKR1B1 P15121 1/20 0.33
GAA P10253 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
PDE7A Q13946 1/20 0.32
TSHR P16473 1/20 0.32
TNKS2 Q9H2K2 1/20 0.31
HTR2C P28335 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
SCHEMBL15966849 0.87 AHR (0.41) ALDH1A1TP53DDB1CRBNPDK2
SCHEMBL10952280 0.82 ALDH1A1 (0.37) ALDH1A1ALOX15GAATSHR
SCHEMBL11368672 0.81 DAO (0.40) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL117727 0.80 CACNB4 (0.40) ALDH1A1CA12CA1CA2CA4
SCHEMBL11094086 0.79 HTR1A (0.34) ALDH1A1MEN1KMT2AGAAHTR2C
SCHEMBL1321330 0.78 HTR2C (0.46) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL24112722 0.77 MEN1 (0.42) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL24112851 0.77 MEN1 (0.42) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL1319444 0.77 TGM2 (0.39)
SCHEMBL10711888 0.76 BRD4 (0.40) ALDH1A1HTR2BGSK3B

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 12 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
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-8563749-B2 Process for preparing substituted 1,3-dihydro-2H-indol-2-ones BAYER CROPSCIENCE AG (DE) 2013-10-22 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
EP-2569283-A1 PROCESS FOR PREPARING SUBSTITUTED 1,3-DIHYDRO-2H-INDOL-2-ONES Bayer Intellectual Property GmbH (DE) 2013-03-20 EP disclosed
CN-102985406-A Process for preparing substituted 1,3-dihydro-2h-indol-2-ones BAYER CROPSCIENCE AG 2013-03-20 CN 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-20110275832-A1 Process for Preparing Substituted 1,3-dihydro-2H-indol-2-ones BAYER CROPSCIENCE AG (DE) 2011-11-10 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-20130281711-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES TH, OXSR1, AOX1 ALDH1A1 634/4885MEN1 3478/4885KMT2A 1699/4885
US-20110275832-A1 Process for Preparing Substituted 1,3-dihydro-2H-indol-2-ones IDO1, IDO2, TDO2 ALDH1A1 418/4885MEN1 4347/4885KMT2A 2950/4885

“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.