SCHEMBL6774012

SCHEMBL6774012

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.61
CASP3 P42574 1/20 0.52
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
UTS2R Q9UKP6 1/20 0.47
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
SCHEMBL6778143 0.88 RXFP1 (0.53) RXFP1CASP3KMT2AHTTKDM4E
SCHEMBL4854039 0.84 NR1H3 (0.62) RXFP1CASP3KMT2AHTTLMNA
SCHEMBL7945209 0.81 CASP3 (0.55) RXFP1CASP3KMT2AHTTKDM4E
SCHEMBL6777806 0.81 RXFP1 (0.60) RXFP1CASP3KMT2AHTTKDM4E
SCHEMBL18669081 0.81 TDP1 (0.70) RXFP1CASP3KMT2AHTTKDM4E
SCHEMBL10926180 0.79 CASP3 (0.56) RXFP1CASP3KMT2AHTTUTS2R
SCHEMBL3024201 0.78 CASP3 (0.58) RXFP1CASP3KMT2AHTTKDM4E
SCHEMBL6336921 0.78 CASP3 (0.58) RXFP1CASP3KMT2AHTTKDM4E
SCHEMBL2030026 0.78 ALDH1A1 (0.55) RXFP1CASP3KMT2AHTTKDM4E
SCHEMBL24422983 0.77 CASP3 (0.51) RXFP1CASP3KMT2AHTTKDM4E

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 7 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
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 RXFP1 169/4885CASP3 1225/4885KMT2A 726/4885

“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.