SCHEMBL12869310

SCHEMBL12869310

CCOC(=O)c1cc2c(s1)C(C)(C)CN(C)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 4/20 0.39
▸ GAA P10253 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35

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
SCHEMBL1174564 0.79 MEN1 (0.47) KDM4EALDH1A1TDP1HPGDL3MBTL1
SCHEMBL23165040 0.79 KDM4E (0.50) KDM4EALDH1A1TDP1HPGDL3MBTL1
SCHEMBL29374318 0.77 MAPT (0.40) KDM4EALDH1A1TDP1HPGDL3MBTL1
SCHEMBL5549010 0.77 KDM4E (0.48) KDM4EALDH1A1TDP1HPGDL3MBTL1
SCHEMBL3310243 0.76 KDM4E (0.48) KDM4EALDH1A1TDP1HPGDL3MBTL1
SCHEMBL1174140 0.75 KDM4E (0.44) KDM4EALDH1A1TDP1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL1175323 0.74 KDM4E (0.43) KDM4EALDH1A1TDP1HPGDL3MBTL1
SCHEMBL12922700 0.74 KDM4E (0.48) KDM4EALDH1A1TDP1HPGDL3MBTL1
SCHEMBL11173311 0.73 L3MBTL1 (0.50) KDM4EALDH1A1TDP1HPGDL3MBTL1
SCHEMBL1174034 0.73 MAPT (0.47) KDM4EALDH1A1TDP1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 KDM4E 903/4885ALDH1A1 1220/4885TDP1 2235/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 KDM4E 903/4885ALDH1A1 1220/4885TDP1 2235/4885

“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.

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