SCHEMBL1429976

SCHEMBL1429976

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
S1PR4 O95977 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.46
F10 P00742 1/20 0.46

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
SCHEMBL4013508 0.87 GAA (0.56) MEN1KMT2AGAATSHRNPSR1
SCHEMBL14254903 0.84 TSHR (0.68) RAB9AMEN1KMT2AGAANPC1
SCHEMBL21814742 0.84 NPSR1 (0.49) RAB9AMEN1KMT2AGAANPC1
SCHEMBL6347381 0.84 PDK1 (0.63) RAB9ATSHRNPSR1
SCHEMBL6371005 0.83 RAB9A (0.75) RAB9ACA12CA1CA2CA9
SCHEMBL6117229 0.83 RAB9A (0.61) RAB9ACA12CA1CA2CA9
SCHEMBL11653044 0.81 RAB9A (0.60) RAB9ACA12CA1CA2CA9
SCHEMBL29784735 0.81 RAB9A (0.60) RAB9ACA12CA1CA2CA9
SCHEMBL678961 0.81 RAB9A (0.60) RAB9ACA12CA1CA2CA9
SCHEMBL2157110 0.81 RAB9A (0.53) RAB9ACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US disclosed
EP-1513521-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA Alcon, Inc. (CH) 2005-03-16 EP disclosed
US-6696476-B2 SUCH AS 1-(2-AMINOPROPYL)-1,7,8,9-TETRAHYDRO-PYRANO(2,3-G)-INDAZOL-8-OL; LOWERING AND CONTROLLING INTRAOCULAR PRESSURE ALCON, INC. (CH) 2004-02-24 US disclosed
WO-2003101379-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2003-12-11 WO disclosed
US-20030171418-A1 Reducing or controlling eye pressure NOVARTIS AG (CH) 2003-09-11 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 RAB9A 891/4885CA12 4309/4885CA1 2810/4885
US-20030171418-A1 Reducing or controlling eye pressure PDE3A, PDE3B, QDPR RAB9A 2071/4885CA12 3347/4885CA1 3018/4885

“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.