SCHEMBL2003374

SCHEMBL2003374

O=C(O)Cc1c[nH]c2ccc(OCCCNCc3nc(Cl)ncc3F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
HTR1A P08908 6/20 0.45
HTR1D P28221 5/20 0.45
HTR1B P28222 5/20 0.45
TSHR P16473 2/20 0.43
MTNR1A P48039 6/20 0.43
MTNR1B P49286 6/20 0.43
SLC6A4 P31645 1/20 0.42
HDAC1 Q13547 1/20 0.41
LTA4H P09960 1/20 0.41
PLA2G2A P14555 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL2004284 0.85 KDM4E (0.51) KDM4EPPARGPPARDPPARAHTR1A
SCHEMBL4237361 0.84 TRPV1 (0.42) KDM4EPPARGPPARDPPARAHTR1A
SCHEMBL2006659 0.84 PPARD (0.47) KDM4EPPARGPPARDPPARAHTR1A
SCHEMBL1998011 0.84 TRPV1 (0.42) KDM4EPPARGPPARDPPARAHTR1A
SCHEMBL2003376 0.82 DRD4 (0.37) KDM4EPPARDHTR1AHTR1DHTR1B
SCHEMBL2001959 0.82 USP2 (0.46) KDM4EPPARGPPARDPPARAHTR1A
SCHEMBL5993638 0.79 KDM4E (0.48) KDM4EPPARGPPARDPPARAHTR1A
SCHEMBL2008026 0.79 PPARD (0.46) KDM4EPPARGPPARDPPARAHTR1A
SCHEMBL1999970 0.75 PPARD (0.49) KDM4EPPARGPPARDPPARAHTR1A
SCHEMBL2000740 0.73 USP2 (0.48) KDM4EPPARGPPARDPPARAHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 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 (1 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT KDM4E 1373/4885PPARG 347/4885PPARD 452/4885

“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.