SCHEMBL14727441

SCHEMBL14727441

O=C1OCc2c(CBr)cc(F)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.38
MAOB P27338 8/20 0.38
ALOX5 P09917 6/20 0.35
CYP3A4 P08684 1/20 0.33
KCNJ1 P48048 2/20 0.33
KCNH2 Q12809 2/20 0.33
TOP2A P11388 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL855164 0.77 MAOA (0.38) MAOAMAOBALOX5CYP3A4KCNJ1
SCHEMBL855545 0.77 TGM2 (0.40) MAOAMAOBALOX5KCNJ1PDE3B
SCHEMBL14719576 0.75 SMN1; SMN2 (0.46)
SCHEMBL2044970 0.74 LMNA (0.41) MAOAMAOBALOX5CYP3A4KCNJ1
SCHEMBL855294 0.74 MAOA (0.38) MAOAMAOBALOX5KCNJ1
SCHEMBL2049186 0.69 PGR (0.41) MAOAMAOBALOX5CYP3A4KCNJ1
SCHEMBL16512964 0.68 CYP3A4 (0.49) MAOAMAOBCYP3A4KCNJ1KCNH2
SCHEMBL854099 0.66 ALOX5 (0.39) MAOAMAOBALOX5CYP3A4KCNJ1
SCHEMBL4168907 0.65
SCHEMBL26112753 0.63 LMNA (0.41) MAOAMAOBALOX5KCNJ1

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-20130053365-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) BIOMARIN PHARMACEUTICAL, INC. (US) 2013-02-28 US disclosed
US-20130053365-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) BIOMARIN PHARMACEUTICAL, INC. (US) 2013-02-28 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-20130053365-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP3 MAOA 587/4885MAOB 241/4885ALOX5 1549/4885

“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.