SCHEMBL369868

SCHEMBL369868

Cc1cc(Cl)ccc1C(CC(=O)c1ccc(=O)[nH]c1)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MGAM O43451 7/20 0.44
GAA P10253 7/20 0.44
SI P14410 7/20 0.44
MGAM2 Q2M2H8 7/20 0.44
POLB P06746 2/20 0.40
EPHX2 P34913 2/20 0.39
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL370930 0.88 EPHX2 (0.45) KMT2AMGAMGAASIMGAM2
SCHEMBL371238 0.88 KMT2A (0.47) KMT2AMGAMGAASIMGAM2
SCHEMBL1390603 0.87 EPHX2 (0.48) MGAMGAASIMGAM2POLB
SCHEMBL1390916 0.85 MGAM (0.53) KMT2AMGAMGAASIMGAM2
SCHEMBL1390521 0.85 MGAM (0.53) KMT2AMGAMGAASIMGAM2
SCHEMBL370252 0.85 MGAM (0.53) KMT2AMGAMGAASIMGAM2
SCHEMBL369159 0.81 GAA (0.44) KMT2AMGAMGAASIMGAM2
SCHEMBL368780 0.81 EPHX2 (0.45) KMT2AMGAMGAASIMGAM2
SCHEMBL371358 0.81 GAA (0.46) KMT2AMGAMGAASIMGAM2
SCHEMBL371201 0.81 MGAM (0.53) KMT2AMGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153945-B 1-oximino-3-phenyl-propanes HOFFMAN-LA ROCHE LTD. (CH) 2016-03-02 CN disclosed
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
CN-103153945-A 1-oximino-3-phenyl-propanes HOFFMANN LA ROCHE 2013-06-12 CN 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 3981/4885MGAM 2443/4885GAA 2696/4885

“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.