SCHEMBL1390280

SCHEMBL1390280

CCCCC(CC(=O)c1ccc(=O)[nH]c1)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
RORC P51449 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL1390159 0.93 EPHX2 (0.39) EPHX2GAASMN1; SMN2MGAMSI
SCHEMBL1390295 0.86 EPHX2 (0.38) EPHX2GAASMN1; SMN2MGAMSI
SCHEMBL1390357 0.83 GAA (0.44) EPHX2GAASMN1; SMN2MGAMSI
SCHEMBL1390310 0.81 ALDH1A1 (0.38) EPHX2GAASMN1; SMN2MGAMSI
SCHEMBL1390316 0.78 SLC6A2 (0.38) SMN1; SMN2ALDH1A1KMT2AHDAC3HDAC1
SCHEMBL371358 0.77 GAA (0.46) EPHX2GAASMN1; SMN2MGAMSI
SCHEMBL1390353 0.75 EPHX2 (0.35) EPHX2GAAMGAMSIMGAM2
SCHEMBL370252 0.74 MGAM (0.53) EPHX2GAAMGAMSIMGAM2
SCHEMBL1390916 0.74 MGAM (0.53) EPHX2GAAMGAMSIMGAM2
SCHEMBL368223 0.74 KMT2A (0.40) ALDH1A1KMT2AHDAC3HDAC1HDAC2

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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 (1 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 EPHX2 1909/4885GAA 2696/4885SMN1; SMN2 2264/4885

“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.