SCHEMBL2909620

SCHEMBL2909620

CCC(F)CCOc1ccccc1NC(=S)NC(=O)c1cc2cnccc2o1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
POLB P06746 1/20 0.45
KCNH2 Q12809 1/20 0.45
MIF P14174 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 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
Hydrochloric Acid SCHEMBL2918048 0.99 ALDH1A1 (0.46) ALDH1A1POLBKCNH2MIFNPC1
SCHEMBL2918385 0.87 ALDH1A1 (0.50) ALDH1A1POLBKCNH2MIFNPC1
Hydrochloric Acid SCHEMBL2910578 0.86 ALDH1A1 (0.49) ALDH1A1POLBKCNH2MIFNPC1
SCHEMBL2909612 0.84 ALDH1A1 (0.47) ALDH1A1POLBKCNH2MIFNPC1
Hydrochloric Acid SCHEMBL2918044 0.84 ALDH1A1 (0.47) ALDH1A1POLBKCNH2MIFNPC1
SCHEMBL2916583 0.83 ALDH1A1 (0.52) ALDH1A1POLBKCNH2MIFNPC1
SCHEMBL2918380 0.82 ALDH1A1 (0.48) ALDH1A1POLBKCNH2MIFNPC1
Hydrochloric Acid SCHEMBL2910572 0.82 ALDH1A1 (0.48) ALDH1A1POLBKCNH2MIFNPC1
SCHEMBL2909189 0.80 ALDH1A1 (0.50) ALDH1A1POLBKCNH2MIFNPC1
SCHEMBL2910248 0.79 ALDH1A1 (0.54) ALDH1A1KCNH2MIFNPC1RAB9A

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 6 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 claimed
US-7439374-B2 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-10-21 US claimed
US-20050228013-A1 Azabenzofuran substituted thioureas; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-10-13 US claimed
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-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 ALDH1A1 171/4885POLB 2239/4885KCNH2 2179/4885

“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.