Sugi Predict

Sugi Predict / Compounds / SCHEMBL6918592

SCHEMBL6918592

SCHEMBL6918592

COC(=O)c1ccnc([C@@H](C)N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.58
▸ KDM6B O15054 2/20 0.58
▸ KDM5C P41229 2/20 0.58
▸ KDM4C Q9H3R0 2/20 0.58
▸ KDM2A Q9Y2K7 2/20 0.58
▸ KDM3A Q9Y4C1 2/20 0.58
▸ ALOX15 P16050 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ JMJD6 Q6NYC1 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM5B Q9UGL1 1/20 0.44
▸ ROCK1 Q13464 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ GLA P06280 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
SCHEMBL8953772 0.87 KDM4E (0.57) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL25933766 0.85 KDM4E (0.55) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL18547226 0.84 KDM4E (0.54) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL17545205 0.83 GABRP (0.56) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL20072588 0.83 KDM4E (0.53) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL5208579 0.82 KDM4E (0.55) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL580680 0.82 KDM4E (0.55) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL25341704 0.81 KDM4E (0.51) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29139910 0.81 KDM4E (0.51) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL16055835 0.79 KDM4E (0.53) KDM4EKDM6BKDM5CKDM4CKDM2A

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-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 — — US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 — — US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 — — US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — WO disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 — — 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 KDM4E 875/4885KDM6B 287/4885KDM5C 501/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 KDM4E 875/4885KDM6B 287/4885KDM5C 501/4885

“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.