SCHEMBL9102485

SCHEMBL9102485

Cc1cccc(OC(=O)C(Br)c2ccccc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
BCHE P06276 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.40
PPARG P37231 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPT P10636 2/20 0.39
CASP1 P29466 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 3/20 0.39
ALOX5 P09917 1/20 0.39
CRHR1 P34998 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
SCHEMBL16161640 0.86 BCHE (0.45) LMNABCHEKMT2AKDM4EMEN1
SCHEMBL15485529 0.84 SMN1; SMN2 (0.43) LMNABCHEKMT2AALDH1A1KDM4E
SCHEMBL15485149 0.84 L3MBTL1 (0.40) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL9107458 0.79 BCHE (0.41) LMNABCHEKMT2AALDH1A1KDM4E
SCHEMBL5327049 0.75 CASP1 (0.56) LMNAKMT2AALDH1A1KDM4EMEN1
SCHEMBL1417549 0.75 CASP1 (0.44) KMT2AALDH1A1CASP1
SCHEMBL14009484 0.75 CASP1 (0.44) KMT2AALDH1A1CASP1
SCHEMBL661387 0.75 CASP1 (0.44) KMT2AALDH1A1CASP1
Metacresol SCHEMBL9102481 0.74 ACHE (0.47) LMNAKMT2AALDH1A1KDM4EMEN1
SCHEMBL12119292 0.73 LMNA (0.70) LMNABCHEKMT2AALDH1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057952-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-02-27 US disclosed
US-8618139-B2 Oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2013-12-31 US disclosed
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US 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-20140057952-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 LMNA 4270/4885BCHE 4606/4885KMT2A 4217/4885
US-20120142739-A1 NOVEL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 LMNA 4270/4885BCHE 4606/4885KMT2A 4217/4885

“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.