SCHEMBL5483816

SCHEMBL5483816

COc1ccc(C=O)cc1-c1cc2c(cc1C)N(C(C)C)CCN2C(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
ALDH1A3 P47895 3/20 0.44
TSHR P16473 1/20 0.43
AOX1 Q06278 1/20 0.40
FDPS P14324 1/20 0.39
RXRA P19793 3/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 2/20 0.38
TRIM24 O15164 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
TTR P02766 1/20 0.36
MAPT P10636 1/20 0.36
DHFR P00374 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL5486215 0.87 ALDH1A1 (0.43) ALDH1A1ALDH1A3TSHRAOX1FDPS
SCHEMBL6542161 0.85 GFER (0.38) ALDH1A1RXRAKDM4EHPGDMAPT
SCHEMBL6542159 0.85 GFER (0.38) ALDH1A1RXRAKDM4EHPGDMAPT
SCHEMBL5490097 0.81 GSK3B (0.44) ALDH1A1RXRAKDM4ETDP1MAPT
SCHEMBL5494520 0.81 PIM1 (0.56) RXRAHPGD
SCHEMBL14492691 0.81 GSK3B (0.44) ALDH1A1RXRAKDM4ETDP1MAPT
SCHEMBL5490099 0.81 GSK3B (0.44) ALDH1A1RXRAKDM4ETDP1MAPT
SCHEMBL5494519 0.81 PIM1 (0.56) RXRAHPGD
SCHEMBL14492666 0.79 CBS (0.49) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL14492604 0.79 PDE4B (0.58) ALDH1A1HPGDMAPTMAOB

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
US-7226940-B2 Substituted heterocycles for the treatment of diabetes and other diseases INCYTE SAN DIEGO, INC. (US) 2007-06-05 US disclosed
US-20060004059-A1 Substituted heterocycles for the treatment of diabetes and other diseases PFAHL MAGNUS 2006-01-05 US disclosed
US-6974826-B2 Imidazolidinedione derivatives for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2005-12-13 US disclosed
EP-1593677-A2 Benzylidene-thiazolidinediones and analogues and their use in the treatment of diabetes Incyte San Diego Incorporated (US) 2005-11-09 EP disclosed
EP-1214304-B1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF DIABETES INCYTE SAN DIEGO INC (US) 2005-08-24 EP disclosed
US-20050070581-A1 Imidazolidinedione derivatives for the treatment of diabetes and other diseases INCYTE SAN DIEGO, INC. 2005-03-31 US disclosed
EP-1421061-A4 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA INCYTE SAN DIEGO INC (US) 2004-12-22 EP disclosed
US-6765013-B2 ANTIPROLIFERATIVE AGENTS FOR TREATING ADIPOCYTE DIFFERENTIATION, CANCER, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, CROHN'S DISEASE OR INFLAMMATORY BOWEL DISEASE INCYTE SAN DIEGO 2004-07-20 US disclosed
EP-1421061-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA Incyte San Diego Incorporated (US) 2004-05-26 EP disclosed
US-20030153606-A1 Thiazolidinedione derivatives for the treatment of diabetes and other diseases MAXIA PHARMACEUTICALS, INC. 2003-08-14 US disclosed
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia ORTHO MCNEIL PHARMACEUTICAL INC. 2003-05-01 US disclosed
WO-2003016267-A1 OXIME DERIVATIVES FOR THE TREATMENT OF DYSLIPIDEMIA AND HYPERCHOLESTEREMIA INCYTE SAN DIEGO INCORPORATED (US) 2003-02-27 WO disclosed
US-6515003-B1 Useful in the treatment of diseases related to lipid and carbohydrate metabolism MAXIA PHARMACEUTICALS, INC. 2003-02-04 US disclosed
EP-1214304-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF DIABETES Maxia Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
WO-2001016122-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF DIABETES MAXIA PHARMACEUTICALS, INC. (US) 2001-03-08 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 (4 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-20060004059-A1 Substituted heterocycles for the treatment of diabetes and other diseases FABP4, HPGDS, GPR119 ALDH1A1 293/4885ALDH1A3 1090/4885TSHR 1825/4885
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia OAT, CPT1A, CYP27A1 ALDH1A1 643/4885ALDH1A3 1179/4885TSHR 974/4885
US-20030153606-A1 Thiazolidinedione derivatives for the treatment of diabetes and other diseases FABP4, PPARG, CPT2 ALDH1A1 65/4885ALDH1A3 586/4885TSHR 724/4885
US-20050070581-A1 Imidazolidinedione derivatives for the treatment of diabetes and other diseases FABP4, GPR119, IL2 ALDH1A1 280/4885ALDH1A3 1103/4885TSHR 1946/4885

“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.