SCHEMBL6406535

SCHEMBL6406535

COc1cc(C2c3[nH]c4ccccc4c(=O)c3CN2Cc2ccccc2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
USP2 O75604 1/20 0.51
PDE5A O76074 5/20 0.49
KDM4E B2RXH2 2/20 0.48
CYP2D6 P10635 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.47
PDE11A Q9HCR9 1/20 0.45
TP53 P04637 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL5023679 0.77 PDE5A (0.73) PDE5A
SCHEMBL6408971 0.77 PDE5A (0.73) PDE5A
SCHEMBL6407697 0.75 PDE5A (0.67) MEN1KMT2APDE5AMAPT
SCHEMBL5530176 0.75 PDE5A (0.67) MEN1KMT2APDE5AMAPT
SCHEMBL6408372 0.70 PDE5A (0.70) PDE5A
SCHEMBL14373072 0.70 POLB (0.62) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL31237933 0.69 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2AUSP2PDE5A
SCHEMBL6407766 0.69 PDE5A (0.42) PDE5A
SCHEMBL14116192 0.68 MEN1 (1.00) SMN1; SMN2MEN1KMT2AUSP2PDE5A
SCHEMBL18837456 0.68 SMN1; SMN2 (0.68) SMN1; SMN2MEN1KMT2AUSP2PDE5A

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-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2005-05-26 US disclosed
US-6818646-B2 1,2,3,4-TETRAHYDRO-2-(5-(2-PYRIDINYL)-PYRIMIDIN-2-YL)-3-(2,3 -DIHYDROBENZOFURANYL)-9H-PYRROLO-(3,4-B)QUINOLIN-9-ONE; MALE ERECTILE DYSFUNCTION; SEXUAL DISORDERS SUI ZHIHUA (US) 2004-11-16 US disclosed
EP-1296981-B1 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2004-10-06 EP disclosed
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2004-03-04 US disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US disclosed
US-20020072055-A1 Iterative and regenerative DNA sequencing method THE UNIVERSITY OF IOWA RESEARCH FOUNDATION 2002-06-13 US disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 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 (3 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-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B SMN1; SMN2 1990/4885MEN1 3847/4885KMT2A 3106/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B SMN1; SMN2 1867/4885MEN1 3647/4885KMT2A 3200/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B SMN1; SMN2 1867/4885MEN1 3647/4885KMT2A 3200/4885

“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.