SCHEMBL6779236

SCHEMBL6779236

COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C#N

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.47
UTS2R Q9UKP6 1/20 0.46
PDE5A O76074 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL27510665 0.89 KMT2A (0.51) CASP3HTTKMT2ATSHRALDH1A1
SCHEMBL4854039 0.83 NR1H3 (0.62) CASP3RXFP1HTTKMT2ANR1H2
SCHEMBL4513655 0.81 MAPK14 (0.42) RXFP1HTTKMT2ANR1H3LMNA
SCHEMBL1858279 0.80 RXFP1 (0.54) CASP3RXFP1KMT2ALMNAKDM4E
SCHEMBL1362229 0.80 KMT2A (0.48) CASP3HTTKMT2ATSHRALDH1A1
SCHEMBL7945209 0.80 CASP3 (0.55) CASP3RXFP1HTTKMT2ALMNA
SCHEMBL6475638 0.80 ALOX15 (0.52) CASP3HTTKMT2ATSHRTDP1
SCHEMBL20157624 0.80 CASP3 (0.51) CASP3HTTKMT2ATSHRALDH1A1
SCHEMBL18669081 0.80 TDP1 (0.70) CASP3RXFP1HTTKMT2ALMNA
SCHEMBL6777806 0.80 RXFP1 (0.60) CASP3RXFP1HTTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699870-B2 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. (JP) 2004-03-02 US disclosed
US-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction EISAI CO., LTD. 2003-06-05 US disclosed
US-6498159-B1 SUCH AS 4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-1-((4-HYDROXY-4 -HYDROXYMETHYL)PIPERIDINO)-6-PHTHALAZINE CARBONITRILE EISAI CO., LTD. (JP) 2002-12-24 US disclosed
WO-2001030745-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-03 WO disclosed
EP-1057819-A1 PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION Eisai Co., Ltd. (JP) 2000-12-06 EP disclosed
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP 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-20030105074-A1 Phthalazine compounds and therapeutic agents for erectile dysfunction CLIC1, CBR1, CBR3 CASP3 1225/4885RXFP1 169/4885HTT 2243/4885

“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.