SCHEMBL7683497

SCHEMBL7683497

CCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccc(Cl)cc2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.84
KMT2A Q03164 1/20 0.75
PAX8 Q06710 1/20 0.75
HDAC3 O15379 1/20 0.74
HDAC4 P56524 1/20 0.74
HDAC1 Q13547 1/20 0.74
HDAC7 Q8WUI4 1/20 0.74
HDAC2 Q92769 1/20 0.74
HDAC10 Q969S8 1/20 0.74
HDAC11 Q96DB2 1/20 0.74
HDAC8 Q9BY41 1/20 0.74
HDAC6 Q9UBN7 1/20 0.74
HDAC9 Q9UKV0 1/20 0.74
HDAC5 Q9UQL6 1/20 0.74

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
SCHEMBL7683504 1.00 PDE5A (0.84) PDE5AKMT2APAX8HDAC3HDAC4
SCHEMBL7433397 1.00 PDE5A (0.84) PDE5AKMT2APAX8HDAC3HDAC4
SCHEMBL6784109 0.93 PDE5A (0.86) PDE5AKMT2A
SCHEMBL7714898 0.93 PDE5A (0.86) PDE5AKMT2A
SCHEMBL7714894 0.93 PDE5A (0.86) PDE5AKMT2A
SCHEMBL1326142 0.92 PDE5A (0.85) PDE5A
SCHEMBL1326138 0.92 PDE5A (0.85) PDE5A
SCHEMBL1326139 0.92 PDE5A (0.85) PDE5A
SCHEMBL6782147 0.91 PDE5A (0.84) PDE5A
SCHEMBL6782139 0.91 PDE5A (0.84) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369059-B1 INHIBITOR OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP SPECIFIC PDE); CARDIOVASCULAR DISORDERS; PYRAZINO(2',1':6,1)PYRIDO(3,4-B)INDOLE-1,4-DIONES ICOS CORPORATION 2002-04-09 US disclosed
US-20020035111-A1 Method of inhibiting neoplastic cells with tetracyclic pyrido[3,4-B] indole derivatives OSI PHARMACEUTICALS, INC. 2002-03-21 US disclosed
US-6127542-A CHEMICAL INTERMEDIATES TO SPECIFIED PYRAZINO(2',1':6,1)PYRIDO(3,4B)INDOLE-1,4-DIONES WHICH ARE SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE; TO TREAT CARDIOVASCULAR DISORDERS ICOS CORPORATION (US) 2000-10-03 US disclosed
EP-0740668-B1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE ICOS CORP (US) 1998-07-29 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-20020035111-A1 Method of inhibiting neoplastic cells with tetracyclic pyrido[3,4-B] indole derivatives MKI67, PNPO, CDK4 PDE5A 4371/4885KMT2A 1547/4885PAX8 1579/4885

“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.