SCHEMBL2118623

SCHEMBL2118623

COC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.69
GAA P10253 7/20 0.69
KDM4E B2RXH2 7/20 0.69
KMT2A Q03164 5/20 0.69
HPGD P15428 5/20 0.69
PKM P14618 3/20 0.69
HSD17B10 Q99714 3/20 0.69
HTT P42858 3/20 0.69
GLA P06280 2/20 0.69
MEN1 O00255 4/20 0.66
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 5/20 0.62
USP2 O75604 2/20 0.62
TSHR P16473 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
LMNA P02545 2/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
TP53 P04637 2/20 0.58
XBP1 P17861 1/20 0.58

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
SCHEMBL4252121 0.91 MAPT (0.68) ALDH1A1GAAKDM4EKMT2AHPGD
SCHEMBL6243745 0.91 MAPT (0.60) ALDH1A1GAAKDM4EKMT2AHPGD
SCHEMBL4253579 0.90 GAA (0.65) ALDH1A1GAAKDM4EKMT2AHPGD
SCHEMBL4256455 0.90 GAA (0.72) ALDH1A1GAAKDM4EKMT2AHPGD
SCHEMBL4253715 0.88 HTR3A (0.67) ALDH1A1GAAKDM4EKMT2AHPGD
SCHEMBL4249457 0.88 SMN1; SMN2 (0.67) ALDH1A1GAAKDM4EKMT2AHPGD
SCHEMBL4258648 0.88 GAA (0.63) ALDH1A1GAAKDM4EKMT2AHPGD
SCHEMBL7745468 0.87 LMNA (0.70) ALDH1A1GAAKDM4EKMT2AHPGD
SCHEMBL20988954 0.86 ALDH1A1 (0.65) ALDH1A1GAAKDM4EKMT2AHPGD
SCHEMBL30882615 0.86 ALDH1A1 (0.65) ALDH1A1GAAKDM4EKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 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-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 (4 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 298/4885GAA 285/4885KDM4E 769/4885
US-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 ALDH1A1 4701/4885GAA 1534/4885KDM4E 4128/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ALDH1A1 4701/4885GAA 1534/4885KDM4E 4128/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 ALDH1A1 298/4885GAA 285/4885KDM4E 769/4885

“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.