Sugi Predict

Sugi Predict / Compounds / SCHEMBL2116506

SCHEMBL2116506

SCHEMBL2116506

Cn1c(=O)[nH]c2cc(C(=O)NO)ccc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.62
▸ ALDH1A1 P00352 8/20 0.52
▸ GAA P10253 8/20 0.52
▸ KDM4E B2RXH2 7/20 0.52
▸ GLA P06280 6/20 0.52
▸ HSD17B10 Q99714 6/20 0.52
▸ HPGD P15428 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ PKM P14618 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ ADORA2B P29275 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ MAPT P10636 4/20 0.47
▸ TP53 P04637 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL2116094 0.89 HTR3A (0.50) HTR3AALDH1A1GAAKDM4EGLA
SCHEMBL4252129 0.84 KDM4E (0.64) HTR3AALDH1A1GAAKDM4EGLA
SCHEMBL2117984 0.83 ALDH1A1 (0.69) HTR3AALDH1A1GAAKDM4EGLA
SCHEMBL30183620 0.83 ALDH1A1 (0.69) HTR3AALDH1A1GAAKDM4EGLA
SCHEMBL4550115 0.79 RXFP1 (0.69) HTR3AALDH1A1GAAKDM4EGLA
SCHEMBL8230914 0.77 HTR3A (1.00) HTR3AALDH1A1GAAKDM4EGLA
SCHEMBL3376884 0.77 ADORA3 (0.61) HTR3AHPGDADORA3ADORA2AADORA2B
SCHEMBL30581043 0.77 ADORA3 (0.61) HTR3AHPGDADORA3ADORA2AADORA2B
SCHEMBL2118590 0.77 TP53 (0.57) HTR3AALDH1A1GAAGLAHSD17B10
SCHEMBL2118929 0.77 ALDH1A1 (0.59) HTR3AALDH1A1GAAKDM4EGLA

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
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
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

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 1371/4885ALDH1A1 298/4885GAA 285/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HTR3A 1371/4885ALDH1A1 298/4885GAA 285/4885

“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.