SCHEMBL4899191

SCHEMBL4899191

O=C1NCCc2cc(Br)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.56
PARP11 Q9NR21 1/20 0.56
PARP1 P09874 1/20 0.51
BRD4 O60885 1/20 0.49
PNMT P11086 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CMA1 P23946 1/20 0.42
AHR P35869 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
TDP2 O95551 1/20 0.40
TGM2 P21980 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
SCHEMBL429197 0.82 PDE3B (0.58) PARP10PARP11PARP1BRD4PNMT
SCHEMBL10815 0.81 DRD2 (0.59) PARP10PARP11PARP1BRD4PNMT
SCHEMBL24699354 0.80 PARP10 (0.76) PARP10PARP11PARP1PNMTASIC3
Hydrochloric Acid SCHEMBL31432826 0.80 DRD2 (0.57) PARP10PARP11PARP1BRD4PNMT
SCHEMBL6371439 0.79 CA9 (0.45) PARP10PARP11PARP1CA12CA1
SCHEMBL17461314 0.79 AHR (0.54) PARP10PARP11PARP1PNMTCA12
SCHEMBL7214466 0.77 BRD4 (0.52) PARP10PARP11PARP1BRD4PNMT
SCHEMBL99208 0.77 MAOA (0.56) BRD4CA9CMA1AHRPDE3B
Methylamine SCHEMBL27630838 0.77 DRD2 (0.53) PARP10PARP11PARP1BRD4PNMT
Acetaldehyde SCHEMBL27858363 0.76 PARP10 (0.51) PARP10PARP11PARP1BRD4PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 PARP10 1511/4885PARP11 829/4885PARP1 793/4885

“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.