SCHEMBL2914136

SCHEMBL2914136

O=C(NC(=S)Nc1cccc(OCc2cc3ccccc3cn2)c1)c1cc2cnccc2o1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 3/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MIF P14174 1/20 0.40

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
SCHEMBL14096095 0.92 MEN1 (0.60) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2916577 0.90 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2916209 0.86 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2912429 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2915621 0.84 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2910241 0.84 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL14096092 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL2910327 0.83 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL2914431 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL4361550 0.80 MEN1 (0.65) ALDH1A1MEN1KMT2ANPC1RAB9A

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 171/4885MEN1 4556/4885KMT2A 1884/4885

“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.