SCHEMBL2704688

SCHEMBL2704688

C[Si](C)(C)CCOCn1cc(C=O)c(I)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
DUSP3 P51452 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 3/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.30
DGAT1 O75907 1/20 0.30

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
SCHEMBL24747882 0.85 SMN1; SMN2 (0.36) RAB9ASMN1; SMN2DUSP3L3MBTL1NPC1
SCHEMBL26677728 0.84 DGAT1 (0.36) RAB9ASMN1; SMN2DUSP3L3MBTL1NPC1
SCHEMBL19225976 0.81 RAB9A (0.33) RAB9ASMN1; SMN2DUSP3L3MBTL1NPC1
SCHEMBL29050026 0.80 DGAT1 (0.32) NPC1DGAT1
SCHEMBL25413973 0.80 DGAT1 (0.34) NPC1DGAT1
SCHEMBL27154335 0.80 ALDH1A1 (0.32) RAB9ASMN1; SMN2DUSP3L3MBTL1NPC1
SCHEMBL17794927 0.79 NPC1 (0.31) NPC1DGAT1
SCHEMBL4427300 0.79 DGAT1 (0.34) NPC1LMNADGAT1
SCHEMBL20338885 0.79 ALDH1A1 (0.34) RAB9ASMN1; SMN2L3MBTL1NPC1KMT2A
SCHEMBL21544284 0.79 NPC1 (0.32) NPC1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212638-B1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
US-9796726-B2 Dihydroquinoline pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-24 US disclosed
US-9796726-B2 Dihydroquinoline pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-24 US disclosed
US-9796726-B2 Dihydroquinoline pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-24 US disclosed
EP-3212638-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2017-09-06 EP disclosed
US-20170226116-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-08-10 US disclosed
US-20170226116-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-08-10 US disclosed
US-20170226116-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-08-10 US disclosed
WO-2016066662-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-05-06 WO disclosed
WO-2016066662-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS AS ALDOSTERONE SYNTHASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-05-06 WO disclosed
EP-2450358-A1 Fused, tricyclic sulfonamide inhibitors of gamma secretase Elan Pharmaceuticals Inc. (US) 2012-05-09 EP disclosed
EP-2450358-A1 Fused, tricyclic sulfonamide inhibitors of gamma secretase Elan Pharmaceuticals Inc. (US) 2012-05-09 EP disclosed
EP-2038280-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2009-03-25 EP disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-01-24 US disclosed
WO-2007143523-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-12-13 WO disclosed
WO-2007143523-A2 FUSED, TRICYCLIC SULFONAMIDE INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-12-13 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 (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-20170226116-A1 NEW DIHYDROQUINOLINE PYRAZOLYL COMPOUNDS RECQL, NDUFS5, NDUFS7 RAB9A 262/4885SMN1; SMN2 2956/4885DUSP3 4428/4885
US-20080021056-A1 Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 RAB9A 1268/4885SMN1; SMN2 1394/4885DUSP3 3477/4885

“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.