SCHEMBL5465442

SCHEMBL5465442

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 4/20 0.35
PPARG P37231 1/20 0.31
RAB9A P51151 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
TP53 P04637 2/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MDM2 Q00987 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
SCHEMBL5465752 0.93 PARP1 (0.37) HSD17B10PARP1PPARGRAB9ANCOA3
SCHEMBL5472790 0.93 PARP1 (0.36) HSD17B10PARP1
SCHEMBL5467227 0.86 PARP1 (0.32) HSD17B10PARP1
SCHEMBL5472751 0.86 PARP1 (0.33) PARP1
SCHEMBL5474592 0.85 PARP1 (0.45) HSD17B10PARP1PPARGRAB9ANCOA3
SCHEMBL5473218 0.83 PPARG (0.30) PPARGRAB9ANCOA3
SCHEMBL5465466 0.81 PARP1 (0.44) HSD17B10PARP1TP53POLBSMN1; SMN2
SCHEMBL5464877 0.79 PARP1 (0.32) PARP1
SCHEMBL5854159 0.78 PARP1 (0.32) PARP1
SCHEMBL5464744 0.77 PARP1 (0.47) HSD17B10PARP1

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 HSD17B10 1504/4885PARP1 2890/4885PPARG 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.