SCHEMBL3421753

SCHEMBL3421753

NC(=S)NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.62
ALOX12 P18054 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
PADI3 Q9ULW8 5/20 0.51
PADI1 Q9ULC6 2/20 0.51
PADI4 Q9UM07 4/20 0.49
PADI2 Q9Y2J8 2/20 0.49
CFD P00746 1/20 0.49
HPGD P15428 1/20 0.48
GAA P10253 2/20 0.47
AGXT P21549 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47

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
SCHEMBL3426065 0.84 KMT2A (0.57) ALOX12ALDH1A1MAPTLMNAHPGD
SCHEMBL133802 0.83 ALOX12 (0.68) ALOX12ALDH1A1MAPTLMNAPKM
Hydrochloric Acid SCHEMBL4474844 0.81 ALOX12 (0.65) ALOX12ALDH1A1MAPTLMNAPKM
Bromide SCHEMBL16927550 0.81 ALOX12 (0.65) ALOX12ALDH1A1MAPTLMNAPKM
SCHEMBL2789014 0.81 ALOX12 (0.65) ALOX12ALDH1A1MAPTLMNAPKM
SCHEMBL31061520 0.79 AOC3 (0.75) AOC3ALDH1A1LMNAPADI3PADI1
SCHEMBL31362037 0.79 PKM (0.61) ALOX12ALDH1A1MAPTLMNAPKM
SCHEMBL5528698 0.77 PTPN7 (0.50) ALOX12ALDH1A1MAPTLMNAPKM
SCHEMBL16108166 0.77 MAPT (0.55) ALOX12ALDH1A1MAPTLMNAPKM
SCHEMBL5527072 0.77 ALDH1A1 (0.54) ALOX12ALDH1A1MAPTLMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-02-10 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-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication TPMT, NAT1, GOT1 AOC3 806/4885ALOX12 3026/4885ALDH1A1 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.