SCHEMBL5472591

SCHEMBL5472591

CCCCC(NCc1ccc2c(c1)NC(=O)C(C)O2)NC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.49
SMYD3 Q9H7B4 4/20 0.38
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL5471766 0.94 PARP1 (0.51) PARP1SMYD3HSD17B10TP53POLB
SCHEMBL5458533 0.83 PARP1 (0.47) PARP1SMYD3HSD17B10TP53POLB
SCHEMBL5466891 0.81 PARP1 (0.53) PARP1SMYD3TP53POLBSMN1; SMN2
SCHEMBL5470810 0.79 PARP1 (0.41) PARP1SMYD3HSD17B10PDE3BPDE3A
SCHEMBL5470024 0.79 PARP1 (0.58) PARP1SMYD3HSD17B10KDR
Hydrochloric Acid SCHEMBL5472546 0.79
SCHEMBL5472594 0.78 SMYD3 (0.41) PARP1SMYD3HSD17B10PDE3BPDE3A
SCHEMBL5465448 0.78 PARP1 (0.48) PARP1SMYD3HSD17B10TP53POLB
SCHEMBL5471765 0.76 PARP1 (0.59) PARP1SMYD3TP53POLBSMN1; SMN2
SCHEMBL5472590 0.76 PARP1 (0.58) PARP1SMYD3TP53POLBSMN1; SMN2

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 2890/4885SMYD3 4613/4885HSD17B10 1504/4885

“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.