SCHEMBL3537520

SCHEMBL3537520

CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(-c3c(C)noc3C)c(OCCCN3CCCCC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
BRD4 O60885 3/20 0.42
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
MET P08581 1/20 0.40
KIT P10721 1/20 0.40
AXL P30530 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
KCNH2 Q12809 6/20 0.39
CYP2C8 P10632 4/20 0.39
MCHR1 Q99705 1/20 0.39
NR1I2 O75469 1/20 0.38
HTR1A P08908 3/20 0.38
DRD2 P14416 3/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
ADRA1A P35348 3/20 0.38

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
SCHEMBL2841549 0.90 BRD4 (0.43) CYP3A4CYP2C9CYP2C19BRD4BRD2
SCHEMBL2840398 0.88 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19BRD4BRD2
SCHEMBL2843897 0.87 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19BRD4BRD2
SCHEMBL2842547 0.85 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19BRD4BRD2
SCHEMBL2839138 0.84 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19BRD4BRD2
SCHEMBL2845113 0.83 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19BRD4BRD2
SCHEMBL2836194 0.82 BRD4 (0.49) CYP3A4CYP2C9CYP2C19BRD4BRD2
SCHEMBL2836557 0.82 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19BRD4BRD2
SCHEMBL2841507 0.82 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19BRD4BRD2
SCHEMBL2864027 0.81 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19KCNH2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666863-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2010-02-23 US claimed
US-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2007-10-04 US claimed
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED 2004-08-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 CYP3A4 38/4885CYP2C9 129/4885CYP2C19 117/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 CYP3A4 38/4885CYP2C9 129/4885CYP2C19 117/4885

“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.