SCHEMBL3428162

SCHEMBL3428162

NC(=S)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
TP53 P04637 1/20 0.67
TYR P14679 1/20 0.67
TSHR P16473 1/20 0.67
TAS2R38 P59533 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MGLL Q99685 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP1A2 P05177 1/20 0.59
KDM4E B2RXH2 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
POLB P06746 1/20 0.51
CNR1 P21554 3/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
MIF P14174 1/20 0.47
RAB9A P51151 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
SCHEMBL4983682 0.84 ALDH1A1 (0.51) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL1006628 0.84 MGLL (0.66) ALDH1A1TAS2R38HSD17B10MGLLKMT2A
SCHEMBL4047674 0.83 KMT2A (0.76) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL3424950 0.82 ALDH1A1 (0.75) ALDH1A1TP53TYRTSHRTAS2R38
Phenylthiourea SCHEMBL42753 0.81 ALDH1A1 (1.00) ALDH1A1TP53TYRTSHRTAS2R38
Phenylthiourea SCHEMBL11820844 0.81 ALDH1A1 (1.00) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL25277661 0.81 MGLL (0.61) MGLLKDM4EPOLBCNR1SIRT2
SCHEMBL30164935 0.81 MGLL (0.72) MGLLKDM4EPOLBCNR1SIRT2
SCHEMBL4082541 0.81 MGLL (0.72) MGLLKDM4EPOLBCNR1SIRT2
SCHEMBL3976068 0.80 HDAC1 (0.50) ALDH1A1TP53TYRTSHRTAS2R38

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 18 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
CN-105916376-A Agrochemical composition 农作物智力有限公司 2016-08-31 CN disclosed
CN-101932630-B Composition for resin and optical lens obtained therefrom MITSUBISHI GAS CHEMICAL CO 2012-12-05 CN disclosed
CN-101868563-B Base processing agent for metal material and method for processing base for metal material NIHON PARKERIZING 2012-09-12 CN disclosed
CN-101535182-B Silica-alumina composite sol and process for production thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-08 CN disclosed
CN-101932630-A Composition for resin and optical lens obtained therefrom MITSUBISHI GAS CHEMICAL CO 2010-12-29 CN disclosed
CN-101868563-A Base processing agent for metal material and method for processing base for metal material NIHON PARKERIZING 2010-10-20 CN 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-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
CN-100528952-C Accelerator system for synthetic polyisoprene latex VANDERBILT CO R T (US) 2009-08-19 CN disclosed
CN-1856537-A Accelerator system for synthetic polyisoprene latex VANDERBILT CO R T (US) 2006-11-01 CN disclosed
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-02-10 US disclosed
EP-0017484-B1 2-IMIDAZOLINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-06 EP disclosed
EP-0017484-A1 2-Imidazoline derivatives, process for the preparation thereof and the pharmaceutical composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-10-15 EP 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 ALDH1A1 261/4885TP53 2106/4885TYR 157/4885

“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.