SCHEMBL5467322

SCHEMBL5467322

CCCC(NC(=O)c1ccc(Cl)cc1)N(Cc1ccc2c(c1)N=C(N)C(C)O2)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.34
RAB9A P51151 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
CCR1 P32246 1/20 0.32
UTS2R Q9UKP6 1/20 0.31
ROCK2 O75116 2/20 0.31
MCHR1 Q99705 1/20 0.31
HTT P42858 1/20 0.31
PPARA Q07869 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL5467579 0.96 CTSK (0.33) PPARGRAB9ANCOA3HDAC3HDAC1
SCHEMBL5473218 0.93 PPARG (0.30) PPARGRAB9ANCOA3
SCHEMBL5476931 0.92 HDAC1 (0.36) HDAC3HDAC1HDAC2NCOR2ROCK2
SCHEMBL5482158 0.86 KDM4E (0.30) ALDH1A1
SCHEMBL5474592 0.83 PARP1 (0.45) PPARGRAB9ANCOA3
SCHEMBL5465752 0.82 PARP1 (0.37) PPARGRAB9ANCOA3HDAC3HDAC1
SCHEMBL5466886 0.82 CTSK (0.31)
SCHEMBL5468708 0.79
Hydrochloric Acid SCHEMBL5473095 0.79 HTT (0.35) PPARGRAB9ANCOA3CCR1UTS2R
SCHEMBL5465466 0.79 PARP1 (0.44)

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-20070049583-A1 Benzoxazine and benzothiazine derivatives and their use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2007-03-01 US disclosed
US-7141566-B1 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-28 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-20070049583-A1 Benzoxazine and benzothiazine derivatives and their use in pharmaceutical agents CYP3A5, XDH, CYP4Z1 PPARG 884/4885RAB9A 3995/4885NCOA3 2801/4885

“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.