SCHEMBL10176188

SCHEMBL10176188

CC(=O)c1nc(C(C)C)sc1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
NPC1 O15118 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
GAA P10253 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 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
SCHEMBL10175758 0.84 COPS5 (0.39) CYP1A2CYP2C9NPC1CYP2C19RAB9A
SCHEMBL12101006 0.80 RXFP1 (0.38) CYP1A2CYP2C9NPC1CYP2C19RAB9A
SCHEMBL26564430 0.80 CYP1A2 (0.34) CYP1A2CYP2C9GAARXFP1
SCHEMBL12292842 0.78 COPS5 (0.44) CYP1A2NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL17865363 0.78 HCRTR2 (0.38) CYP1A2CYP2C9GAARXFP1ALDH1A1
SCHEMBL23682669 0.76 GFER (0.36) CYP1A2CYP2C9NPC1CYP2C19RAB9A
SCHEMBL23815725 0.72 SHMT2 (0.39) CYP1A2CYP2C9NPC1RAB9ASMN1; SMN2
SCHEMBL27830241 0.69 L3MBTL1 (0.33) CYP1A2CYP2C9NPC1CYP2C19RAB9A
SCHEMBL10252488 0.68 GAA (0.53) CYP1A2CYP2C9NPC1RAB9ASMN1; SMN2
SCHEMBL2140521 0.68 PTGER1 (0.35) CYP1A2CYP2C9NPC1CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 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-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX CYP1A2 706/4885CYP2C9 1756/4885NPC1 3311/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX CYP1A2 706/4885CYP2C9 1756/4885NPC1 3311/4885

“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.