SCHEMBL3424749

SCHEMBL3424749

CN(Cc1ccccc1)c1ccc(NC(N)=S)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41
TYR P14679 1/20 0.41
TSHR P16473 1/20 0.41
TAS2R38 P59533 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 4/20 0.39
CYP1A2 P05177 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL27564408 0.81 ALDH1A1 (0.43) GAAALDH1A1KMT2AMEN1TDP1
SCHEMBL4363882 0.78 MAPT (0.59) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL3426617 0.77 SMN1; SMN2 (0.40) GAAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL14096175 0.76 GAA (0.46) GAAKDM4EALDH1A1TP53TSHR
SCHEMBL13338024 0.75 CYP19A1 (0.44) KDM4EALDH1A1TDP1TSHRMAPT
SCHEMBL6681291 0.74 ALDH1A1 (0.51) GAAALDH1A1KMT2AMEN1TDP1
SCHEMBL6676234 0.74 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL3425368 0.72 ALDH1A1 (0.39) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL4426149 0.72 MAT2A (0.44) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL7600769 0.69 ACHE (0.51) GAAALDH1A1KMT2ATP53TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US claimed
CN-1849301-A Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2006-10-18 CN claimed
EP-1648862-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2006-04-26 EP claimed
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-02-10 US claimed
WO-2005007601-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
CN-1849301-A Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2006-10-18 CN disclosed
EP-1648862-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2006-04-26 EP disclosed
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-02-10 US disclosed
WO-2005007601-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-01-27 WO 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-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication TPMT, NAT1, GOT1 GAA 371/4885KDM4E 2176/4885ALDH1A1 261/4885

“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.