SCHEMBL3575803

SCHEMBL3575803

Cc1cccc(OC[C@H](COCc2ccccc2)NC(=O)Nc2ccccc2Br)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
CTSB P07858 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CCKBR P32239 2/20 0.41
ANPEP P15144 1/20 0.40
DVL1 O14640 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL3577627 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL3577900 0.91 RAB9A (0.47) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL3565935 0.89 MAOB (0.43) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL3570887 0.88 KMT2A (0.47) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL3580415 0.84 KMT2A (0.52) MEN1KMT2AHTTCTSBCTSL
SCHEMBL3576228 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL3576724 0.84 CCKBR (0.40) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL3565201 0.77 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL3585190 0.74 SMN1; SMN2 (0.52) MEN1KMT2AHTTMAPK1
SCHEMBL3573082 0.73 MAOB (0.51) MEN1KMT2AALDH1A1HTTL3MBTL1

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-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 EP 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-20060270693-A1 Ether derivative UROD, IL5, IL17A MEN1 4235/4885KMT2A 648/4885ALDH1A1 126/4885

“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.