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SCHEMBL2237490

SCHEMBL2237490

CN(Cc1cc(C(=O)NCc2ccc(CN3CCCC3)cc2)co1)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MLLT1 Q03111 3/20 0.39
▸ DDR1 Q08345 3/20 0.39
▸ CXCR4 P61073 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL2238958 0.84 TSHR (0.47) L3MBTL1TSHRALDH1A1KDM4ECYP1A2
SCHEMBL12346722 0.84 TSHR (0.47) L3MBTL1TSHRALDH1A1KDM4ECYP1A2
SCHEMBL12346720 0.84 TSHR (0.47) L3MBTL1TSHRALDH1A1KDM4ECYP1A2
SCHEMBL12346715 0.83 TSHR (0.47) L3MBTL1TSHRALDH1A1KDM4EMLLT1
Trifluoroacetic Acid SCHEMBL2238818 0.79 TSHR (0.42) L3MBTL1TSHRALDH1A1MLLT1CXCR4
Trifluoroacetic Acid SCHEMBL2243218 0.79 TSHR (0.42) L3MBTL1TSHRALDH1A1MLLT1CXCR4
Trifluoroacetic Acid SCHEMBL2234999 0.78 TSHR (0.43) L3MBTL1TSHRALDH1A1KDM4EMLLT1
SCHEMBL2237836 0.78 CHRM3 (0.42) ALDH1A1MLLT1DDR1GAAMAPT
SCHEMBL2237543 0.78 CHRM3 (0.45) L3MBTL1TSHRALDH1A1MLLT1GAA
SCHEMBL2242918 0.76 KDM4E (0.49) L3MBTL1ALDH1A1KDM4ECYP2D6MEN1

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-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 — — US claimed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 — — US claimed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 — — US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 — — US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 — — US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 — — US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 — — US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 — — US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 — — US disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 — — 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 L3MBTL1 2404/4885TSHR 962/4885ALDH1A1 3283/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 L3MBTL1 2744/4885TSHR 1030/4885ALDH1A1 3363/4885

“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.