SCHEMBL13495459

SCHEMBL13495459

CC(=O)N1CCCCC(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 3/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
CYP2C9 P11712 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 2/20 0.40
EPHX2 P34913 1/20 0.40
CYP1A2 P05177 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
HSPA1A P0DMV8 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 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
SCHEMBL838932 0.93 CYP3A4 (0.45) SMN1; SMN2CYP3A4HIF1AALDH1A1CYP2D6
SCHEMBL15576980 0.89 EPHX2 (0.49) SMN1; SMN2CYP3A4HIF1AALDH1A1MEN1
SCHEMBL16518681 0.87 EPHX2 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AEPHX2
SCHEMBL16433385 0.87 EPHX2 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AEPHX2
SCHEMBL16518667 0.85 EPHX2 (0.46) SMN1; SMN2CYP3A4HIF1AALDH1A1CYP2D6
SCHEMBL15577026 0.85 EPHX2 (0.46) SMN1; SMN2CYP3A4HIF1AALDH1A1CYP2D6
SCHEMBL15506158 0.85 EPHX2 (0.46) SMN1; SMN2CYP3A4HIF1AALDH1A1CYP2D6
SCHEMBL18559671 0.85 EPHX2 (0.46) SMN1; SMN2CYP3A4HIF1AALDH1A1CYP2D6
SCHEMBL4815638 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CYP3A4HIF1AALDH1A1CYP2D6
SCHEMBL4815629 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CYP3A4HIF1AALDH1A1CYP2D6

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-7666870-B2 Phthalazinone derivatives MAYBRIDGE LIMITED (GB) 2010-02-23 US disclosed
US-20090163477-A1 PHTHALAZINONE DERIVATIVES MAYBRIDGE LIMITED (GB) 2009-06-25 US disclosed
US-7407957-B2 e.g. 4-[5-(piperazine-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; septic shock; ischemic injury; reperfusion injury; hemorrhagic shock; and multiple sclerosis MAYBRIDGE LIMITED (GB) 2008-08-05 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-20090163477-A1 PHTHALAZINONE DERIVATIVES PARP1, PARP2, PARP11 SMN1; SMN2 2985/4885CYP3A4 1543/4885HIF1A 389/4885

“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.