SCHEMBL5465752

SCHEMBL5465752

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.37
HSD17B10 Q99714 1/20 0.34
PPARG P37231 2/20 0.34
SMYD3 Q9H7B4 2/20 0.34
RAB9A P51151 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
HTT P42858 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
UTS2R Q9UKP6 1/20 0.31
MCHR1 Q99705 1/20 0.31
CCR1 P32246 1/20 0.31
PPARA Q07869 1/20 0.30
KDR P35968 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
SCHEMBL5465442 0.93 HSD17B10 (0.36) PARP1HSD17B10PPARGRAB9ANCOA3
SCHEMBL5474592 0.92 PARP1 (0.45) PARP1HSD17B10PPARGSMYD3RAB9A
SCHEMBL5465466 0.87 PARP1 (0.44) PARP1HSD17B10SMYD3KDR
SCHEMBL5472751 0.86 PARP1 (0.33) PARP1
SCHEMBL5472790 0.86 PARP1 (0.36) PARP1HSD17B10HDAC3HDAC1HDAC2
SCHEMBL5467227 0.85 PARP1 (0.32) PARP1HSD17B10
SCHEMBL5464744 0.84 PARP1 (0.47) PARP1HSD17B10SMYD3HDAC3HDAC1
SCHEMBL5467322 0.82 PPARG (0.34) PPARGRAB9ANCOA3HTTHDAC3
SCHEMBL5854159 0.82 PARP1 (0.32) PARP1
SCHEMBL5464877 0.79 PARP1 (0.32) PARP1

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 PARP1 2890/4885HSD17B10 1504/4885PPARG 884/4885

“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.