SCHEMBL2919475

SCHEMBL2919475

O=C(NC(=S)NCCc1cccc(Oc2ccccc2)c1)c1cc2cnccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
FDFT1 P37268 3/20 0.46
ALOX12 P18054 5/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
HTT P42858 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL2910241 0.84 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL2910327 0.83 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL2858595 0.82 ALDH1A1 (0.59) ALDH1A1ALOX12MAPTMEN1CYP1A2
SCHEMBL2910480 0.82 ALDH1A1 (0.61) ALDH1A1ALOX12MAPTMEN1CYP2C9
SCHEMBL2944718 0.79 ALDH1A1 (0.67) ALDH1A1CYP2C9KMT2ASMN1; SMN2KDM4E
SCHEMBL2910248 0.78 ALDH1A1 (0.54) ALDH1A1ALOX12MAPTMEN1CYP1A2
SCHEMBL2912429 0.78 ALDH1A1 (0.56) ALDH1A1ALOX12MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL2910334 0.77 ALDH1A1 (0.53) ALDH1A1ALOX12MAPTMEN1CYP1A2
SCHEMBL2916577 0.77 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL2918070 0.77 ALDH1A1 (0.66) ALDH1A1MAPTMEN1CYP2C9KMT2A

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 9 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
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 ALDH1A1 171/4885FDFT1 2789/4885ALOX12 1586/4885

“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.