SCHEMBL1013065

SCHEMBL1013065

Cc1nc(Cl)cc(-c2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KIF11 P52732 1/20 0.40
CXCL12 P48061 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
KMO O15229 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
TNF P01375 1/20 0.37

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
SCHEMBL18216910 0.87 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9ANPSR1
SCHEMBL4716132 0.85 RAD51 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2KIF11
SCHEMBL1012956 0.84 ALDH1A1 (0.46) ALDH1A1MAPTNPC1RAB9ANPSR1
SCHEMBL17413751 0.84 NPC1 (0.53) ALDH1A1MAPTNPC1RAB9ANPSR1
SCHEMBL29389980 0.84 ALDH1A1 (0.46) ALDH1A1MAPTNPC1RAB9ANPSR1
SCHEMBL4748830 0.82 MAPT (0.55) ALDH1A1MAPTHPGDCXCL12KDM4E
SCHEMBL1011410 0.81 HSP90AA1 (0.62) ALDH1A1MAPTNPC1RAB9ANPSR1
SCHEMBL1012879 0.79 KIF11 (0.44) ALDH1A1MAPTNPC1RAB9ANPSR1
SCHEMBL4816969 0.79 NPC1 (0.39) ALDH1A1MAPTNPC1RAB9ANPSR1
SCHEMBL25068057 0.79 KDM4E (0.58) ALDH1A1MAPTRAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108276401-B Inhibitors of influenza virus replication and uses thereof 广东东阳光药业有限公司 2020-12-22 CN disclosed
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7053088-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-05-30 US disclosed
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 US disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 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 (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-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ALDH1A1 3105/4885MAPT 653/4885NPC1 2387/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ALDH1A1 3238/4885MAPT 755/4885NPC1 2982/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ALDH1A1 3238/4885MAPT 755/4885NPC1 2982/4885

“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.