SCHEMBL346175

SCHEMBL346175

CN(C)CCOc1cccc(Oc2ccc3c(c2)CC(C(=O)NO)CC3)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAF1 P04049 2/20 0.44
BRAF P15056 2/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ADRB3 P13945 1/20 0.41
FAAH O00519 6/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LTA4H P09960 1/20 0.40
PPARD Q03181 1/20 0.40

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
SCHEMBL346783 0.93 ACHE (0.47) KDM4EALDH1A1RAF1BRAFLMNA
SCHEMBL345757 0.89 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2RAF1BRAF
SCHEMBL346632 0.88 KDM4E (0.44) KDM4EALDH1A1LMNACHRNB2CHRNA4
SCHEMBL436441 0.82 FAAH (0.52) FAAH
SCHEMBL346881 0.81 ACHE (0.47) KDM4EALDH1A1ACHEFAAHPPARD
SCHEMBL10197645 0.81 FAAH (0.54) FAAH
SCHEMBL10197649 0.79 ADRB3 (0.49) ADRB3FAAHHDAC6
SCHEMBL461379 0.79 FAAH (0.44) RAF1BRAFADRB3FAAH
SCHEMBL459415 0.78 FAAH (0.43) ALDH1A1RAF1BRAFFAAH
SCHEMBL10197674 0.78 RAF1 (0.47) ALDH1A1SMN1; SMN2RAF1BRAFLMNA

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
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (2 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 KDM4E 729/4885ALDH1A1 559/4885SMN1; SMN2 567/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 KDM4E 572/4885ALDH1A1 185/4885SMN1; SMN2 1515/4885

“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.