SCHEMBL2198665

SCHEMBL2198665

C=CCOc1ccc(Br)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA9 Q16790 5/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
MAOA P21397 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL21736912 0.86 ALDH1A1 (0.49) ALDH1A1GAAHPGDSMN1; SMN2MEN1
SCHEMBL27762926 0.83 ALDH1A1 (0.53) ALDH1A1GAAHPGDSMN1; SMN2MEN1
SCHEMBL12005938 0.82 ALDH1A1 (0.49) ALDH1A1GAAHPGDSMN1; SMN2MEN1
SCHEMBL4778778 0.80 ALDH1A1 (0.50) ALDH1A1GAAHPGDSMN1; SMN2MEN1
SCHEMBL15471440 0.79 ALDH1A1 (0.44) ALDH1A1GAAHPGDSMN1; SMN2MEN1
SCHEMBL7792853 0.79 ALDH1A1 (0.55) ALDH1A1GAAHPGDSMN1; SMN2MEN1
SCHEMBL25405284 0.79 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4861376 0.79 ALDH1A1 (0.49) ALDH1A1GAAHPGDSMN1; SMN2MEN1
SCHEMBL5439339 0.79 MAPT (0.45) ALDH1A1GAAHPGDSMN1; SMN2MEN1
SCHEMBL10650052 0.79 MCL1 (0.54) ALDH1A1GAAHPGDSMN1; SMN2MEN1

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
EP-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP disclosed
US-8592460-B2 Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-26 US disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
CN-1826310-B Novel aminobenzophenone compounds LEO PHARMA AS 2010-07-21 CN disclosed
US-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US disclosed
CN-101627034-A Amino-pyridine derivatives as S1P1/EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD 2010-01-13 CN disclosed
EP-2125797-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008114157-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-09-25 WO disclosed
CN-1826310-A Novel aminobenzophenone compounds LEO PHARMA AS (DK) 2006-08-30 CN disclosed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 US disclosed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 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-20060166990-A1 Novel aminobenzophenone compounds NFKBIA, UACA, ALDH7A1 ALDH1A1 88/4885GAA 2276/4885HPGD 1490/4885
US-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR4 ALDH1A1 2789/4885GAA 4364/4885HPGD 1761/4885

“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.