SCHEMBL4504451

SCHEMBL4504451

CN(C)Cc1cccc(N/C(=C2\C(=O)Nc3cc(Cl)ccc32)c2cccc(CC(=O)O)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.38
HPSE Q9Y251 1/20 0.37
PPARD Q03181 4/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
PLK1 P53350 2/20 0.36
ACP1 P24666 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ROCK2 O75116 3/20 0.36
PTGES O14684 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
SELP P16109 1/20 0.35
SELE P16581 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
ADRB2 P07550 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
SCHEMBL4494458 1.00 NR1H4 (0.38) NR1H4HPSEPPARDPPARGPPARA
SCHEMBL4488882 0.93 ROCK2 (0.41) NR1H4RXFP1ROCK2
SCHEMBL4488877 0.93 ROCK2 (0.41) NR1H4RXFP1ROCK2
SCHEMBL4497346 0.93 NR1H4 (0.38) NR1H4HPSEPPARDPPARGPPARA
SCHEMBL4497348 0.93 NR1H4 (0.38) NR1H4HPSEPPARDPPARGPPARA
SCHEMBL4498958 0.92 PLK1 (0.42) NR1H4HPSEPPARDPPARGPPARA
SCHEMBL227669 0.92 HSPH1 (0.42) NR1H4PPARDPPARGPPARAPLK1
SCHEMBL227668 0.92 HSPH1 (0.42) NR1H4PPARDPPARGPPARAPLK1
SCHEMBL4498955 0.92 PLK1 (0.42) NR1H4HPSEPPARDPPARGPPARA
SCHEMBL4504446 0.91 ACP1 (0.41) PLK1ACP1RXFP1ROCK2PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US claimed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US claimed
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 NR1H4 665/4885HPSE 4604/4885PPARD 747/4885
US-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 NR1H4 1011/4885HPSE 3850/4885PPARD 2510/4885

“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.