SCHEMBL6283548

SCHEMBL6283548

S=C(NCCc1c[nH]c2ccccc12)Nc1nccs1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.62
LTC4S Q16873 1/20 0.60
MAPT P10636 10/20 0.59
MEN1 O00255 8/20 0.59
KMT2A Q03164 8/20 0.59
ALOX12 P18054 6/20 0.59
LMNA P02545 4/20 0.59
GAA P10253 2/20 0.59
TDP1 Q9NUW8 4/20 0.58
MAPK1 P28482 3/20 0.58
ALDH1A1 P00352 4/20 0.56
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 1/20 0.54
IDO1 P14902 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53

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
SCHEMBL1520353 0.94 GLA (0.60) GLALTC4SMAPTMEN1KMT2A
SCHEMBL1520127 0.89 GLA (0.68) GLALTC4SMAPTMEN1KMT2A
SCHEMBL28684233 0.82 GLA (0.61) GLAMAPTMEN1KMT2ALMNA
SCHEMBL29353571 0.81 RAB9A (0.55) GLAMEN1KMT2AALOX12LMNA
SCHEMBL6957663 0.81 RAB9A (0.55) GLAMEN1KMT2AALOX12LMNA
SCHEMBL6963810 0.81 NPC1 (0.52) MAPTMEN1KMT2ALMNAGAA
SCHEMBL1520080 0.80 IDO1 (0.55) GLAMAPTMEN1KMT2AALOX12
SCHEMBL1520004 0.78 MEN1 (0.81) LTC4SMAPTMEN1KMT2AALOX12
SCHEMBL6961594 0.78 RAB9A (0.54) MAPTMEN1KMT2AALOX12LMNA
SCHEMBL6953553 0.78 NPC1 (0.54) MAPTMEN1KMT2ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960606-B2 Adamantyl Thiazole Thioureas PARKER HUGHES INSTITUTE (US) 2005-11-01 US disclosed
US-20030207921-A1 Aromatic and heterocyclic thiazolyl thiourea compounds and use PARKER HUGHES INSTITUTE (US) 2003-11-06 US disclosed
EP-1326852-A1 AROMATIC AND HETEROCYCLIC THIAZOLYL THIOUREA COMPOUNDS AND USE Parker Hughes Institute (US) 2003-07-16 EP disclosed
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
WO-2002032889-A1 AROMATIC AND HETEROCYCLIC THIAZOLYL THIOUREA COMPOUNDS AND USE PARKER HUGHES INSTITUTE (US) 2002-04-25 WO disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 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-20030207921-A1 Aromatic and heterocyclic thiazolyl thiourea compounds and use TYMP, PNP, TPMT GLA 4277/4885LTC4S 2471/4885MAPT 1006/4885

“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.