Sugi Predict

Sugi Predict / Compounds / SCHEMBL2118929

SCHEMBL2118929

SCHEMBL2118929

O=C(NO)c1ccc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.59
▸ KDM4E B2RXH2 4/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ HPGD P15428 2/20 0.59
▸ GAA P10253 6/20 0.59
▸ GLA P06280 2/20 0.59
▸ MAPT P10636 4/20 0.58
▸ TP53 P04637 2/20 0.58
▸ HTR3A P46098 5/20 0.57
▸ CACNA1G O43497 4/20 0.57
▸ HDAC1 Q13547 2/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ HSD17B10 Q99714 3/20 0.55
▸ HTT P42858 3/20 0.55
▸ USP2 O75604 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ TSHR P16473 1/20 0.55

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
SCHEMBL2611397 0.90 KDM4E (0.59) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL23201147 0.89 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL30882314 0.89 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL30882615 0.87 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL20988954 0.87 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL30882577 0.85 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL2118623 0.84 ALDH1A1 (0.69) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL30882581 0.82 ALDH1A1 (0.78) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL23201224 0.82 ALDH1A1 (0.78) ALDH1A1KDM4ESMN1; SMN2HPGDGAA
SCHEMBL4550115 0.80 RXFP1 (0.69) ALDH1A1KDM4ESMN1; SMN2HPGDGAA

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-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
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 ALDH1A1 298/4885KDM4E 769/4885SMN1; SMN2 848/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 ALDH1A1 298/4885KDM4E 769/4885SMN1; SMN2 848/4885

“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.