Sugi Predict

Sugi Predict / Compounds / SCHEMBL355402

SCHEMBL355402

SCHEMBL355402

COC(=O)c1ccc2c(c1)CC(c1cccc(OCCN(C)C)c1)CC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNA4 P43681 2/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ HSP90B1 P14625 2/20 0.39
▸ TRAP1 Q12931 2/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ MAP1LC3B Q9GZQ8 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ ADRA1A P35348 1/20 0.37

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
SCHEMBL356646 0.90 HDAC6 (0.51) HDAC6KDM4EALDH1A1LMNAPRMT5
SCHEMBL10249826 0.86 HDAC6 (0.51) HDAC6KDM4EALDH1A1LMNACHRNB2
SCHEMBL354618 0.79 CHRNB2 (0.42) KDM4EALDH1A1CHRNB2CHRNA4MAPT
SCHEMBL8126769 0.76 ESR1 (0.60) KDM4EALDH1A1LMNACHRNB2CHRNA4
SCHEMBL10247127 0.74 HDAC8 (0.50) HDAC6RAB9AADRA1A
SCHEMBL345757 0.73 KDM4E (0.47) KDM4EALDH1A1LMNACHRNB2CHRNA4
SCHEMBL346465 0.73 KDM4E (0.42) KDM4EALDH1A1LMNACHRNB2CHRNA4
SCHEMBL346881 0.72 ACHE (0.47) KDM4EALDH1A1
SCHEMBL10249990 0.71 BRAF (0.42) HDAC6ALDH1A1CHRNB2CHRNA4BTK
SCHEMBL8134959 0.70 ALDH1A1 (0.62) KDM4EALDH1A1LMNAMAPTRAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC6 1/4885KDM4E 668/4885ALDH1A1 676/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC6 1/4885KDM4E 597/4885ALDH1A1 202/4885

“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.