SCHEMBL346783

SCHEMBL346783

CN(C)CCOc1ccc2c(c1)CC(C(=O)NO)CC2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.47
HRH3 Q9Y5N1 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MGLL Q99685 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.42
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HSP90B1 P14625 1/20 0.40
TRAP1 Q12931 1/20 0.40
POLB P06746 1/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 1/20 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
SCHEMBL346175 0.93 KDM4E (0.46) ACHERAF1BRAFKDM4EALDH1A1
SCHEMBL346632 0.89 KDM4E (0.44) KDM4EALDH1A1LMNAROCK2ROCK1
SCHEMBL346881 0.87 ACHE (0.47) ACHEHRH3CA1CA2MGLL
SCHEMBL10197646 0.81 ABL1 (0.47) ACHECA1CA2RAF1BRAF
SCHEMBL345757 0.81 KDM4E (0.47) ACHECA1CA2RAF1BRAF
SCHEMBL10197641 0.80 MTNR1A (0.60) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL10197642 0.78 FAAH (0.58) HRH3
SCHEMBL346465 0.77 KDM4E (0.42) KDM4EALDH1A1LMNAROCK2ROCK1
SCHEMBL346775 0.76 FAAH (0.51) ALDH1A1
SCHEMBL346900 0.75 GHSR (0.46) ACHECA1CA2MTNR1AMTNR1B

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 ACHE 3602/4885HRH3 48/4885CA1 400/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ACHE 1149/4885HRH3 29/4885CA1 844/4885

“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.