SCHEMBL15055286

SCHEMBL15055286

CCC(C)(C)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
MAPT P10636 4/20 0.58
HSPB1 P04792 1/20 0.53
ALDH1A1 P00352 3/20 0.50
POLB P06746 2/20 0.50
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MYOC Q99972 1/20 0.46
PTGS2 P35354 2/20 0.45
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
HTT P42858 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL6223902 0.90 ALDH1A1 (0.54) NPC1RAB9AMAPTALDH1A1POLB
SCHEMBL4670457 0.86 HSPB1 (0.51) NPC1RAB9AMAPTHSPB1ALDH1A1
SCHEMBL15055631 0.83 MAPT (0.67) NPC1RAB9AMAPTHSPB1ALDH1A1
SCHEMBL4670068 0.83 HSPB1 (0.59) NPC1RAB9AMAPTHSPB1ALDH1A1
SCHEMBL15279922 0.83 HSPB1 (0.59) NPC1RAB9AMAPTHSPB1ALDH1A1
SCHEMBL9082994 0.83 HSPB1 (0.59) NPC1RAB9AMAPTHSPB1ALDH1A1
SCHEMBL9497275 0.83 HSPB1 (0.59) NPC1RAB9AMAPTHSPB1ALDH1A1
SCHEMBL15054866 0.82 HSPB1 (0.58) NPC1RAB9AMAPTHSPB1ALDH1A1
SCHEMBL128091 0.82 NPC1 (0.81) NPC1RAB9AMAPTALDH1A1POLB
SCHEMBL9503342 0.81 HSPB1 (0.50) NPC1RAB9AMAPTHSPB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3332783-B1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2024-12-04 EP disclosed
US-20210382038-A1 METHOD FOR IDENTIFYING MODULATORS OF NOTCH SIGNALING ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2021-12-09 US disclosed
US-20210382038-A1 METHOD FOR IDENTIFYING MODULATORS OF NOTCH SIGNALING ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2021-12-09 US disclosed
CN-113616648-A Notch signaling pathway inhibitors and their use in cancer treatment 洛桑联邦理工学院(EPFL) 2021-11-09 CN disclosed
US-11085918-B2 Method for identifying modulators of notch signaling ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2021-08-10 US disclosed
US-11085918-B2 Method for identifying modulators of notch signaling ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2021-08-10 US disclosed
CN-107434779-B Notch signaling pathway inhibitors and their use in cancer treatment 洛桑联邦理工学院(EPFL) 2021-07-13 CN disclosed
US-20190219566-A1 METHOD FOR IDENTIFYING MODULATORS OF NOTCH SIGNALING ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2019-07-18 US disclosed
US-20190219566-A1 METHOD FOR IDENTIFYING MODULATORS OF NOTCH SIGNALING ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2019-07-18 US disclosed
US-10274481-B2 Method for identifying modulators of notch signaling ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2019-04-30 US disclosed
US-20160266095-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS ECOLE POLYTECHNIQUE FED DE LAUSANNE (EPFL) (CH) 2016-09-15 US disclosed
US-9296682-B2 Inhibitors of notch signalling pathway and use thereof in treatment of cancers ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2016-03-29 US disclosed
US-9296682-B2 Inhibitors of notch signalling pathway and use thereof in treatment of cancers ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2016-03-29 US disclosed
US-9296682-B2 Inhibitors of notch signalling pathway and use thereof in treatment of cancers ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2016-03-29 US disclosed
US-20140329867-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2014-11-06 US disclosed
US-20140329867-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2014-11-06 US disclosed
US-20140329867-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2014-11-06 US disclosed
EP-2793884-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS Ecole Polytechnique Federale de Lausanne (EPFL) (CH) 2014-10-29 EP disclosed
WO-2013093885-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2013-06-27 WO disclosed
WO-2013093885-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2013-06-27 WO 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 (5 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-10274481-B2 Method for identifying modulators of notch signaling NOTCH3, NOTCH1, NOTCH4 NPC1 1941/4885RAB9A 3388/4885MAPT 3343/4885
US-20210382038-A1 METHOD FOR IDENTIFYING MODULATORS OF NOTCH SIGNALING NOTCH3, NOTCH1, NOTCH4 NPC1 1941/4885RAB9A 3388/4885MAPT 3343/4885
US-20190219566-A1 METHOD FOR IDENTIFYING MODULATORS OF NOTCH SIGNALING NOTCH3, NOTCH1, NOTCH4 NPC1 1941/4885RAB9A 3388/4885MAPT 3343/4885
US-11085918-B2 Method for identifying modulators of notch signaling NOTCH3, NOTCH1, NOTCH4 NPC1 1941/4885RAB9A 3388/4885MAPT 3343/4885
US-20140329867-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS NOTCH3, NOTCH1, NOTCH4 NPC1 2594/4885RAB9A 3103/4885MAPT 3407/4885

“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.