Sugi Predict

Sugi Predict / Compounds / SCHEMBL346632

SCHEMBL346632

SCHEMBL346632

CN(C)CCOc1cccc(-c2ccc3c(c2)CC(C(=O)NO)CC3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MMP2 P08253 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNA4 P43681 2/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ROCK2 O75116 3/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ PIP5K1C O60331 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ PKN2 Q16513 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ BRSK1 Q8TDC3 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
SCHEMBL346465 0.89 KDM4E (0.42) KDM4EALDH1A1LMNAMMP2MMP3
SCHEMBL346783 0.89 ACHE (0.47) KDM4EALDH1A1LMNAROCK2ROCK1
SCHEMBL346175 0.88 KDM4E (0.46) KDM4EALDH1A1LMNACHRNB2CHRNA4
SCHEMBL10197924 0.87 KDM4E (0.42) KDM4EALDH1A1LMNAMMP2MMP3
SCHEMBL461537 0.87 RXRA (0.47) ADRB3HDAC6HDAC1HDAC2HDAC8
SCHEMBL10265404 0.85 SLC5A1 (0.40) MMP2MMP3ADRB3HDAC1HDAC2
SCHEMBL10197736 0.83 HDAC1 (0.53) ALDH1A1HDAC1HDAC2HDAC8FAAH
SCHEMBL461680 0.82 HDAC4 (0.58) MMP2FAAHHDAC4
SCHEMBL459845 0.77 FAAH (0.49) ADRB3HDAC6HDAC1HDAC2HDAC8
SCHEMBL345757 0.77 KDM4E (0.47) KDM4EALDH1A1LMNACHRNB2CHRNA4

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 559/4885LMNA 1395/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 KDM4E 572/4885ALDH1A1 185/4885LMNA 2133/4885

“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.