SCHEMBL2118708

SCHEMBL2118708

CCN(CC)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
KDM4E B2RXH2 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
MAPK1 P28482 2/20 0.55
USP2 O75604 1/20 0.55
ALOX15 P16050 1/20 0.55
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 2/20 0.52
GAA P10253 2/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ALPL P05186 1/20 0.48

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
SCHEMBL2118969 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EHTTMAPK1USP2
SCHEMBL2118620 0.83 KDM4E (0.72) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL31483754 0.83 KDM4E (0.72) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL10262840 0.83 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL2039522 0.81 KDM4E (0.60) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL2118255 0.77 KDM4E (0.57) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL2117452 0.76 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL13343425 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL403762 0.76 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A
SCHEMBL402452 0.76 PDE5A (0.57) ALDH1A1KDM4ESMN1; SMN2HTTRAB9A

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 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.