SCHEMBL246188

SCHEMBL246188

O=S(=O)(Nc1cccc(CCl)c1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.72
IL1RN P18510 1/20 0.59
KEAP1 Q14145 1/20 0.59
ERAP1 Q9NZ08 1/20 0.59
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 1/20 0.56
PKM P14618 1/20 0.56
KMT2A Q03164 1/20 0.56
PGR P06401 2/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
CYP19A1 P11511 1/20 0.54
PTGES O14684 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.51
IKBKB O14920 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL23306394 0.90 HTR6 (0.68) HTR6IL1RNKEAP1ERAP1ALDH1A1
SCHEMBL27482732 0.84 HTR6 (0.72) HTR6IL1RNKEAP1ERAP1ALDH1A1
SCHEMBL14425657 0.84 HTR6 (0.72) HTR6IL1RNKEAP1ERAP1ALDH1A1
SCHEMBL1690514 0.84 HTR6 (0.72) HTR6IL1RNKEAP1ERAP1ALDH1A1
SCHEMBL9001184 0.82 KEAP1 (0.79) HTR6IL1RNKEAP1ERAP1ALDH1A1
SCHEMBL14072269 0.81 HTR6 (0.74) HTR6IL1RNKEAP1ERAP1ALDH1A1
SCHEMBL1691398 0.80 HTR6 (0.67) HTR6IL1RNKEAP1ERAP1ALDH1A1
SCHEMBL2305394 0.80 HTR6 (0.75) HTR6IL1RNKEAP1ERAP1ALDH1A1
SCHEMBL3125892 0.79 HTR6 (1.00) HTR6IL1RNKEAP1ERAP1ALDH1A1
SCHEMBL15946027 0.79 HTR6 (0.75) HTR6IL1RNKEAP1ERAP1ALDH1A1

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-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
US-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-15 US disclosed
EP-2588454-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-05-08 EP disclosed
WO-2012000945-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 WO disclosed
WO-2012000945-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 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-20130210795-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC HTR6 2827/4885IL1RN 2955/4885KEAP1 1050/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC HTR6 2827/4885IL1RN 2955/4885KEAP1 1050/4885

“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.