SCHEMBL2744076

SCHEMBL2744076

NC(=O)c1[c]ccc(N2CCCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
HTT P42858 3/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
PIK3CB P42338 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
GAA P10253 2/20 0.37
SLC9A1 P19634 1/20 0.37
IKBKB O14920 1/20 0.37

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
SCHEMBL2744690 0.95 KDM4E (0.45) KDM4EHTTALDH1A1POLBHPGD
SCHEMBL4965500 0.87 PARP1 (0.46) KDM4EHTTALDH1A1POLBHPGD
SCHEMBL2744801 0.86 PARP1 (0.47) KDM4EHTTALDH1A1POLBHPGD
SCHEMBL3422656 0.78 SORD (0.47) KDM4EHTTALDH1A1HPGDMEN1
SCHEMBL2744970 0.78 PARP1 (0.49) KDM4EHTTALDH1A1HSD17B10PARP1
SCHEMBL2792634 0.78 CNR2 (0.36) KDM4ECNR2ALDH1A1HPGDPIK3CB
SCHEMBL701826 0.78 HRH3 (0.44) KDM4EHTTALDH1A1HSD17B10IRAK4
SCHEMBL2792970 0.77 KDM4E (0.38) KDM4ECNR2ALDH1A1LMNAPARP1
SCHEMBL3421759 0.76 CA12 (0.43) KDM4EHTTALDH1A1POLBHPGD
SCHEMBL2744989 0.76 NR3C2 (0.45) PIK3CBPIK3CAACACB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 EP claimed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 US claimed
US-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 US claimed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 US claimed
EP-3023097-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2016-05-25 EP disclosed
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 EP disclosed
US-20150209365-A1 Methods and Compositions for Treating Luekemia NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150025074-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES BUONAMICI SILVIA (US) 2015-01-22 US disclosed
US-20140200217-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS DORSCH MARION (US) 2014-07-17 US disclosed
US-8778927-B2 Smoothened antagonism for the treatment of hedgehog pathway-related disorders NOVARTIS AG (CH) 2014-07-15 US disclosed
US-8507471-B2 Biphenylcarboxamide derivatives as hedgehod pathway modulators IRM LLC (BM) 2013-08-13 US disclosed
US-20120329798-A1 METHODS AND COMPOSITIONS FOR TREATING LUEKEMIA COPLAND MHAIRI (GB) 2012-12-27 US disclosed
EP-2501370-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES Novartis AG (CH) 2012-09-26 EP disclosed
US-20120232087-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES BUONAMICI SILVIA (US) 2012-09-13 US disclosed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 US disclosed
US-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 US disclosed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 US disclosed
WO-2010037715-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2010-04-08 WO disclosed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 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 (8 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-20150025074-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES MTOR, ULK1, HRAS KDM4E 1283/4885HTT 2914/4885CNR2 3750/4885
US-20150209365-A1 Methods and Compositions for Treating Luekemia MCL1, ABL1, BCR KDM4E 2329/4885HTT 2856/4885CNR2 4573/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 KDM4E 1039/4885HTT 1246/4885CNR2 180/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO KDM4E 1129/4885HTT 2560/4885CNR2 2729/4885
US-20120232087-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES MTOR, ULK1, HRAS KDM4E 1283/4885HTT 2914/4885CNR2 3750/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO KDM4E 1129/4885HTT 2560/4885CNR2 2729/4885
US-20120329798-A1 METHODS AND COMPOSITIONS FOR TREATING LUEKEMIA MCL1, ABL1, BCR KDM4E 2329/4885HTT 2856/4885CNR2 4573/4885
US-20140200217-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, SMO KDM4E 1460/4885HTT 2156/4885CNR2 3618/4885

“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.