SCHEMBL368223

SCHEMBL368223

CCCCC(CC(=O)c1ccc[n+]([O-])c1)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GPR84 Q9NQS5 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
NR1I2 O75469 1/20 0.36
HDAC3 O15379 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
AHR P35869 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL368660 0.93 KMT2A (0.41) KMT2AMEN1GPR84L3MBTL1AHR
SCHEMBL369563 0.87 KMT2A (0.38) KMT2AMEN1GPR84L3MBTL1ALDH1A1
SCHEMBL369845 0.84 KMT2A (0.41) KMT2AMEN1GPR84L3MBTL1ALDH1A1
SCHEMBL370473 0.81 KMT2A (0.41) KMT2AMEN1GPR84L3MBTL1ALDH1A1
SCHEMBL369497 0.76 MGAM (0.47) KMT2AMEN1GPR84L3MBTL1AHR
SCHEMBL370009 0.76 MEN1 (0.36) KMT2AMEN1GPR84L3MBTL1ALDH1A1
SCHEMBL1390280 0.74 EPHX2 (0.37) KMT2AHDAC3HDAC1HDAC2HDAC10
SCHEMBL1390316 0.74 SLC6A2 (0.38) KMT2AMEN1L3MBTL1HDAC3HDAC1
SCHEMBL369165 0.73 KMT2A (0.40) KMT2AMEN1GPR84ALDH1A1MAPT
SCHEMBL370833 0.73 KMT2A (0.40) KMT2AMEN1GPR84ALDH1A1MAPT

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 5 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
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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 KMT2A 3981/4885MEN1 1315/4885GPR84 51/4885

“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.