SCHEMBL3633762

SCHEMBL3633762

CC1C(=O)N(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)C(=O)N1CCO

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.62
PRAP1 Q96NZ9 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL14028998 1.00 PARP1 (0.62) PARP1PRAP1CYP3A4CYP2C9TSHR
SCHEMBL4088922 0.89 PARP1 (0.59) PARP1PRAP1
SCHEMBL14029001 0.88 PARP1 (0.61) PARP1
SCHEMBL3630956 0.88 PARP1 (0.61) PARP1
SCHEMBL1801940 0.88 PARP1 (0.58) PARP1PRAP1CYP3A4CYP2C9TSHR
Hydrochloric Acid SCHEMBL3636680 0.87 PARP1 (0.60) PARP1
SCHEMBL4104414 0.87 PARP1 (0.57) PARP1PRAP1
SCHEMBL14028997 0.87 PARP1 (0.57) PARP1PRAP1CYP3A4CYP2C9TSHR
SCHEMBL3634804 0.87 PARP1 (0.57) PARP1PRAP1CYP3A4CYP2C9TSHR
SCHEMBL4094897 0.86 PARP1 (0.56) PARP1PRAP1

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
EP-2155726-A1 PHTHALAZINONE DERIVATIVES AND THEIR USE AS MEDICAMENT TO TREAT CANCER Kudos Pharmaceuticals Limited (GB) 2010-02-24 EP disclosed
US-20080255128-A1 e.g. 4-[5-(Piperidine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent with BRCA2 deficient phenotype; septic shock; ischemic injury; hemorrhagic shock; multiple sclerosis KUDOS PHARMACEUTICALS LIMITED (GB) 2008-10-16 US disclosed
WO-2008122810-A1 PHTHALAZINONE DERIVATIVES AND THEIR USE AS MEDICAMENT TO TREAT CANCER KUDOS PHARMACEUTICALS LIMITED (GB) 2008-10-16 WO 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-20080255128-A1 e.g. 4-[5-(Piperidine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent with BRCA2 deficient phenotype; septic shock; ischemic injury; hemorrhagic shock; multiple sclerosis PARP1, PARP11, PARP2 PARP1 1/4885PRAP1 1153/4885CYP3A4 4257/4885

“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.