SCHEMBL14719381

SCHEMBL14719381

COC(=O)c1cc(F)cc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAPT P10636 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL2186297 0.85 SOS1 (0.48) SLC6A4SLC6A3NPC1CASP3RAB9A
SCHEMBL21621554 0.85 SLC6A4 (0.45) SLC6A4SLC6A3NPC1CASP3RAB9A
SCHEMBL18878112 0.85 CES2 (0.44) SLC6A4SLC6A3NPC1CASP3RAB9A
SCHEMBL1422048 0.85 SLC6A4 (0.41) SLC6A4SLC6A3NPC1CASP3RAB9A
SCHEMBL23302512 0.83 CA12 (0.42) SLC6A4SLC6A3NPC1CASP3RAB9A
SCHEMBL31024720 0.83 CA12 (0.46) SLC6A4SLC6A3NPC1CASP3RAB9A
SCHEMBL17724093 0.83 CA12 (0.46) SLC6A4SLC6A3NPC1CASP3RAB9A
SCHEMBL20766728 0.81 KDM4E (0.47) SLC6A4SLC6A3NPC1CASP3RAB9A
SCHEMBL21000818 0.81 GAA (0.42) SLC6A4SLC6A3NPC1CASP3RAB9A
SCHEMBL1060105 0.81 KDM4E (0.47) SLC6A4SLC6A3NPC1CASP3RAB9A

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 3 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
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 SLC6A4 4661/4885SLC6A3 4654/4885NPC1 2467/4885

“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.