SCHEMBL630002

SCHEMBL630002

COc1ccc2c(c1)CCC(C)(C)C2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
PRNP P04156 1/20 0.56
METAP1 P53582 2/20 0.47
MALT1 Q9UDY8 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
MIF P14174 3/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
MPO P05164 1/20 0.45
MAPK14 Q16539 2/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL2819403 0.87 SMN1; SMN2 (0.51) SMN1; SMN2PRNPMETAP1MALT1CA1
SCHEMBL30475131 0.84 SMN1; SMN2 (0.67) SMN1; SMN2PRNPMETAP1MALT1CA1
SCHEMBL3958079 0.83 SMN1; SMN2 (0.54) SMN1; SMN2PRNPMETAP1MALT1CA1
SCHEMBL8012040 0.83 SMN1; SMN2 (0.61) SMN1; SMN2PRNPMETAP1MALT1CA1
SCHEMBL5360209 0.82 SMN1; SMN2 (0.60) SMN1; SMN2PRNPMETAP1MALT1CA1
SCHEMBL18815844 0.81 SMN1; SMN2 (0.59) SMN1; SMN2PRNPMETAP1MALT1CA1
SCHEMBL27081326 0.81 SMN1; SMN2 (0.59) SMN1; SMN2PRNPMETAP1MALT1CA1
SCHEMBL629696 0.80 SMN1; SMN2 (0.58) SMN1; SMN2PRNPMETAP1MALT1CA1
SCHEMBL3045910 0.80 SMN1; SMN2 (0.45) SMN1; SMN2PRNPCA1CA2
SCHEMBL6795634 0.79 SMN1; SMN2 (0.56) SMN1; SMN2PRNPMETAP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970156-B1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH INC (US) 2018-07-25 EP disclosed
EP-2970156-B1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH INC (US) 2018-07-25 EP disclosed
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
EP-2970156-A2 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-01-20 EP disclosed
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 US disclosed
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 US disclosed
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 US disclosed
WO-2014144545-A2 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-18 WO disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
EP-1757599-A1 INDOLE DERIVATIVES HAVING PIPERIDINE RINGS Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
EP-1757599-A1 INDOLE DERIVATIVES HAVING PIPERIDINE RINGS Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
WO-2007000339-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed
WO-2007000340-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed
US-20050256103-A1 Indole derivative having piperidine ring EISAI CO., LTD. 2005-11-17 US disclosed
US-5272170-A Tetralones with pharmacological activity J. URIACH & CIA., S.A. (ES) 1993-12-21 US disclosed
US-5208246-A Hypotensive, bronchodilator J. URIACH & CIA. (ES) 1993-05-04 US disclosed
EP-0489300-A2 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-10 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 (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-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF CYP4X1, BRIX1, HAX1 SMN1; SMN2 2512/4885PRNP 1461/4885METAP1 3121/4885
US-20050256103-A1 Indole derivative having piperidine ring HTR5A, HTR2C, HTR1A SMN1; SMN2 3116/4885PRNP 3416/4885METAP1 2600/4885

“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.