SCHEMBL368577

SCHEMBL368577

Cc1ncsc1C(CC(=O)c1ccc(=O)n(C(=O)CC(c2ccc(Br)cc2)c2scnc2C)c1)c1ccc(Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
MEN1 O00255 1/20 0.30

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
SCHEMBL369294 0.79 GAA (0.40) KMT2AMGAMGAASIMGAM2
SCHEMBL364765 0.76 GPR183 (0.40) KMT2A
SCHEMBL368989 0.76 GPBAR1 (0.44) KMT2AGPBAR1
SCHEMBL368990 0.76 GPBAR1 (0.44) KMT2AGPBAR1
SCHEMBL368991 0.76 GPBAR1 (0.44) KMT2AGPBAR1
SCHEMBL368578 0.75 KMT2A (0.38) KMT2AMGAMGAASIMGAM2
SCHEMBL369509 0.74 KMT2A (0.45) KMT2AMGAMGAASIMGAM2
SCHEMBL371141 0.74 GPBAR1 (0.37) KMT2AMGAMGAASIMGAM2
SCHEMBL370259 0.69 KMT2A (0.40) KMT2AMGAMGAASIMGAM2
SCHEMBL1395270 0.67 KMT2A (0.39) 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 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 3981/4885MGAM 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.