SCHEMBL1174140

SCHEMBL1174140

CCOC(=O)c1cc2c(s1)C(C)(C)CNC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 6/20 0.40
▸ GAA P10253 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MAPK1 P28482 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PTPN2 P17706 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALOX15 P16050 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
Hydrochloric Acid SCHEMBL1175323 0.99 KDM4E (0.43) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL23165040 0.80 KDM4E (0.50) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL12869310 0.75 KDM4E (0.43) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL1174225 0.73 PNMT (0.65) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL11173037 0.71 PNMT (0.55) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL1393397 0.71 ALDH1A1 (0.49) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL7796977 0.70 ADORA1 (0.52) KDM4EALDH1A1HPGDTDP1L3MBTL1
Hydrochloric Acid SCHEMBL27136939 0.69 ADORA1 (0.53) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL1174564 0.69 MEN1 (0.47) KDM4EALDH1A1HPGDTDP1L3MBTL1
SCHEMBL1425932 0.69 PNMT (0.51) KDM4EALDH1A1HPGDTDP1L3MBTL1

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
CN-108570059-B Compound with PRMT5 inhibitory activity and preparation and application thereof 中国科学院上海药物研究所 2022-02-08 — — CN disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — WO disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 — — WO 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 1220/4885HPGD 1100/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 KDM4E 903/4885ALDH1A1 1220/4885HPGD 1100/4885

“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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