SCHEMBL1922571

SCHEMBL1922571

COc1ccc(C(=O)C(C)Br)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP1A2 P05177 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 3/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PPARG P37231 1/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PTGS2 P35354 3/20 0.41

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
SCHEMBL757099 0.86 HTT (0.55) HTTNPC1RAB9ACYP1A2ALDH1A1
SCHEMBL8397291 0.85 NPC1 (0.47) HTTNPC1RAB9ACYP1A2ALDH1A1
SCHEMBL1922400 0.83 NPC1 (0.57) HTTNPC1RAB9ACYP1A2ALDH1A1
SCHEMBL27508922 0.83 HTT (0.56) HTTNPC1RAB9ACYP1A2ALDH1A1
SCHEMBL1922100 0.83 HTT (0.52) HTTNPC1RAB9ACYP1A2ALDH1A1
SCHEMBL1922880 0.82 JAK2 (0.49) HTTNPC1RAB9ACYP1A2ALDH1A1
SCHEMBL5641091 0.82 NPC1 (0.45) HTTNPC1RAB9ACYP1A2ALDH1A1
SCHEMBL2990374 0.81 HTT (0.50) HTTNPC1RAB9AALDH1A1CYP3A4
SCHEMBL4488614 0.80 HTT (0.50) HTTNPC1RAB9ACYP1A2ALDH1A1
SCHEMBL5748247 0.80 MAPT (0.58) HTTRAB9AALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531510-B1 PYRAZOLO[5,1B]OXAZOLE DERIVATIVES AS CRF-1 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2014-07-23 EP disclosed
EP-2531510-A1 PYRAZOLO[5,1B]OXAZOLE DERIVATIVES AS CRF-1 RECEPTOR ANTAGONISTS Novartis AG (CH) 2012-12-12 EP disclosed
US-20120295942-A1 Pyrazolo[5,1b]oxazole Derivatives as CRF-1 Receptor Antagonists NOVARTIS AG (CH) 2012-11-22 US disclosed
US-8163785-B2 Pyrazolo[5,1b]oxazole derivatives as CRF-1 receptor antagonists NOVARTIS AG (CH) 2012-04-24 US disclosed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 US disclosed
US-20110190360-A1 PYRAZOLO[5,1B]OXAZOLE DERIVATIVES AS CRF-1 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 US disclosed
WO-2011092290-A1 PYRAZOLO[5,1B]OXAZOLE DERIVATIVES AS CRF-1 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 WO disclosed
EP-2328902-A1 PYRAZOLO [5,1-B]OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS Novartis AG (CH) 2011-06-08 EP disclosed
WO-2010015628-A1 PYRAZOLO [5,1-B] OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 WO disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 US disclosed
EP-0889938-A1 FOOD GRADE JET INKS VIDEOJET SYSTEMS INTERNATIONAL, INC. (US) 1999-01-13 EP disclosed
US-5821255-A REGULATING THE SECRETION OF CORTICOTROPIN, BETA-ENDORPHIN OR PEPTIDES DERIVED FROM PROOPIOMELANOCORTIN SANOFI (FR) 1998-10-13 US disclosed
EP-0659747-B1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-04-01 EP disclosed
WO-1997035933-A1 FOOD GRADE JET INKS VIDEOJET SYSTEMS INTERNATIONAL, INC. (US) 1997-10-02 WO disclosed
CN-1127252-A Branched-amino-sbustituted thiazoles, processes for their preparation and the pharmaceutical compositions which contain them SANOFI SA (FR) 1996-07-24 CN disclosed
EP-0659747-A1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-06-28 EP 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 (3 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-20100035874-A1 Organic compounds CRH, CRHR1, CRHR2 HTT 3587/4885NPC1 1952/4885RAB9A 3388/4885
US-20110190360-A1 PYRAZOLO[5,1B]OXAZOLE DERIVATIVES AS CRF-1 RECEPTOR ANTAGONISTS CRHR1, CRH, CRHR2 HTT 4621/4885NPC1 2083/4885RAB9A 2711/4885
US-20120295942-A1 Pyrazolo[5,1b]oxazole Derivatives as CRF-1 Receptor Antagonists CRHR1, CRH, CRHR2 HTT 4272/4885NPC1 1959/4885RAB9A 3086/4885

“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.