Sugi Predict

Sugi Predict / Compounds / SCHEMBL2120728

SCHEMBL2120728

SCHEMBL2120728

COC(=O)c1ccc2ccn(CCOc3ccc(OC)cc3)c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.53
▸ MAPT P10636 4/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ NCOR2 Q9Y618 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ DRD2 P14416 1/20 0.42

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
SCHEMBL2116182 0.94 MCL1 (0.53) MAPK1MAPTMCL1CA1CA2
SCHEMBL6703820 0.91 MAPK1 (0.56) MAPK1MAPTMCL1RAB9AKDM4E
SCHEMBL2116432 0.89 HDAC6 (0.56) MAPK1MCL1CA1CA2HDAC8
SCHEMBL2118546 0.85 TRPV1 (0.46) MAPTCA1CA2HDAC8HDAC6
SCHEMBL2116350 0.84 HDAC6 (0.55) MCL1CA1CA2HDAC8HDAC6
SCHEMBL6180717 0.83 MAPK1 (0.48) MAPK1MAPTMCL1RAB9AKDM4E
SCHEMBL2117423 0.83 HDAC3 (0.45) MAPTCA1CA2HDAC6HDAC3
SCHEMBL10268001 0.83 HDAC6 (0.51) MAPK1CA1CA2HDAC8HDAC6
SCHEMBL6700908 0.82 MMP13 (0.55) MAPTRAB9AKDM4EDRD2ALDH1A1
SCHEMBL2116523 0.82 PKM (0.48) CA1CA2HDAC6HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 — — WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 — — 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 MAPK1 2359/4885MAPT 2988/4885MCL1 1132/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 MAPK1 2359/4885MAPT 2988/4885MCL1 1132/4885

“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.