SCHEMBL2914422

SCHEMBL2914422

CCC(F)C(C)Oc1ccccc1NC(=S)NC(=O)c1cc2c(OC)nccc2o1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
POLB P06746 2/20 0.44
MIF P14174 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
P2RX4 Q99571 1/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL2916508 0.90 POLB (0.44) KCNH2POLBMIFMEN1KMT2A
SCHEMBL2909612 0.84 ALDH1A1 (0.47) KCNH2POLBMIFMEN1KMT2A
Hydrochloric Acid SCHEMBL2918044 0.83 ALDH1A1 (0.47) KCNH2POLBMIFMEN1KMT2A
SCHEMBL2915042 0.78 ALDH1A1 (0.49) KCNH2POLBMIFMEN1KMT2A
SCHEMBL2914220 0.77 POLB (0.46) KCNH2POLBMIFMEN1KMT2A
SCHEMBL2919939 0.73 KMT2A (0.48) MIFMEN1KMT2AALDH1A1MAPT
SCHEMBL2915045 0.72 KMT2A (0.55) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL2915461 0.71 SIRT2 (0.45) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL13175801 0.70 S1PR4 (0.44) MIFMEN1KMT2AALDH1A1MAPT
SCHEMBL2917273 0.70 TP53 (0.31) MEN1KMT2AALDH1A1MAPTHPGD

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 KCNH2 2179/4885POLB 2239/4885MIF 2562/4885

“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.