SCHEMBL10249418

SCHEMBL10249418

CCn1c(-c2ccc(C#Cc3ccc(Cl)cc3)cc2)c(N)c2ccc(O)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.36
ESR1 P03372 5/20 0.34
GRM4 Q14833 1/20 0.33
ESR2 Q92731 1/20 0.33
ALOX5 P09917 2/20 0.32
PTGES O14684 1/20 0.32
APP P05067 1/20 0.32
CHEK1 O14757 1/20 0.32
WEE1 P30291 1/20 0.32
ADK P55263 2/20 0.32
RPS6KA5 O75582 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CNR2 P34972 1/20 0.31
PLA2G2A P14555 1/20 0.31

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
SCHEMBL10252735 0.89 PDE5A (0.41) PDE5AESR1GRM4ESR2KDM4E
SCHEMBL10251572 0.86 GRIK2 (0.46) ESR1ESR2APPKDM4EALDH1A1
SCHEMBL13152789 0.86 GRM4 (0.34) PDE5AESR1GRM4ALOX5PTGES
SCHEMBL10251575 0.85 USP7 (0.37) PDE5AESR1ESR2ALOX5USP7
SCHEMBL10191034 0.84 ESR1 (0.39) PDE5AESR1GRM4ESR2KDM4E
SCHEMBL13152709 0.78 GRIK2 (0.52) ESR1ESR2APPKDM4EALDH1A1
SCHEMBL10097250 0.77 KDM4E (0.41) PDE5AESR1ESR2KDM4EALDH1A1
SCHEMBL10251196 0.75 PFKFB2 (0.44) KDM4ELMNAMAPTHPGD
SCHEMBL10095401 0.74 HTT (0.39) PDE5AESR1GRM4ALOX5PTGES
SCHEMBL13152728 0.74 JAK2 (0.41) PDE5AESR1ESR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS PDE5A 1500/4885ESR1 4618/4885GRM4 3594/4885

“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.