SCHEMBL2116094

SCHEMBL2116094

Cn1c(=O)[nH]c2ccc(C(=O)NO)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ ADORA2B P29275 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ PARG Q86W56 1/20 0.46
▸ FEN1 P39748 2/20 0.46
▸ ERCC1 P07992 1/20 0.46
▸ DNASE1 P24855 1/20 0.46
▸ ERCC4 Q92889 1/20 0.46
▸ CA12 O43570 4/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ GAA P10253 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GLA P06280 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41

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
SCHEMBL2116506 0.89 HTR3A (0.62) HTR3AADORA3ADORA2AADORA2BADORA1
SCHEMBL4550112 0.85 HTR3A (0.47) HTR3AADORA3ADORA2AADORA2BADORA1
SCHEMBL2115896 0.83 KDM4E (0.58) ADORA3ADORA2AADORA2BADORA1PARG
SCHEMBL9760930 0.79 ADORA3 (0.56) HTR3AADORA3ADORA2AADORA2BADORA1
SCHEMBL2611279 0.79 RXFP1 (0.56) CA12CA9GAAKDM4EALDH1A1
SCHEMBL2611397 0.77 KDM4E (0.59) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9919008 0.75 ADORA3 (0.64) ADORA3ADORA2AADORA2BADORA1PARG
SCHEMBL31709875 0.75 ADORA3 (0.64) ADORA3ADORA2AADORA2BADORA1PARG
SCHEMBL8215674 0.73 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1PARG
SCHEMBL9923029 0.72 ADORA3 (0.59) HTR3AADORA3ADORA2AADORA2BADORA1

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 11 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
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 HTR3A 1371/4885ADORA3 973/4885ADORA2A 1213/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HTR3A 1371/4885ADORA3 973/4885ADORA2A 1213/4885

“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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