SCHEMBL4864665

SCHEMBL4864665

CCCCCOc1ccc(N)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
CASP1 P29466 1/20 0.53
HTT P42858 1/20 0.53
CASP7 P55210 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
TSHR P16473 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 2/20 0.45
S1PR2 O95136 1/20 0.45
LPAR2 Q9HBW0 1/20 0.45

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
SCHEMBL20226662 0.98 TSHR (0.53) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL20226511 0.98 TSHR (0.53) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL4402736 0.95 KDM4E (0.54) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL17048160 0.89 GAA (0.66) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL20496730 0.85 GAA (0.48) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL15244630 0.84 GAA (0.42) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL27957343 0.83 S1PR1 (0.44) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL7043129 0.82 TSHR (0.57) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL9484969 0.82 THRA (0.51) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL7045133 0.82 TSHR (0.57) MAPTKDM4EGAAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709047-B1 AZABENZOFURAN SUBSTITUTED THIOUREAS AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-09-01 EP disclosed
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 US disclosed
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 US disclosed
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 US disclosed
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-10-13 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-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication NAT1, PIGS, ADORA1 MAPT 4359/4885KDM4E 626/4885GAA 975/4885

“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.