SCHEMBL3979127

SCHEMBL3979127

CCn1c2ccccc2c2cc(NC(N)=S)ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.69
MAPT P10636 13/20 0.66
KDM4E B2RXH2 8/20 0.66
MEN1 O00255 7/20 0.66
KMT2A Q03164 7/20 0.66
LMNA P02545 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
HTT P42858 2/20 0.63
GAA P10253 1/20 0.63
NPY5R Q15761 5/20 0.63
ALDH1A1 P00352 4/20 0.59
HPGD P15428 5/20 0.58
RORC P51449 2/20 0.58
RAB9A P51151 2/20 0.57
MAPK1 P28482 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
NPC1 O15118 1/20 0.57
HCRTR1 O43613 1/20 0.57
PAX8 Q06710 1/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL7977193 0.86 NPSR1 (0.78) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL10310301 0.86 NPSR1 (0.69) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL7722815 0.82 NPSR1 (1.00) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL7722834 0.81 MAPT (0.81) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL19757194 0.81 NPSR1 (0.65) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL7977191 0.81 NPSR1 (0.78) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL14199692 0.81 MAPT (0.82) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL25179738 0.81 NPSR1 (0.68) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL10659152 0.80 NPSR1 (0.75) NPSR1MAPTKDM4EMEN1KMT2A
SCHEMBL2852620 0.79 NPSR1 (0.67) NPSR1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522184-A Thiourea compounds NAT HEALTH RESEARCH INSTITUTES (CN) 2009-09-02 CN disclosed
EP-2056810-A2 THIOUREA COMPOUNDS National Health Research Institutes (TW) 2009-05-13 EP disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
WO-2008022204-A2 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-02-21 WO disclosed
EP-1709040-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE Sirenade Pharmaceuticals AG (DE) 2006-10-11 EP disclosed
WO-2005068458-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE SIRENADE PHARMACEUTICALS AG (DE) 2005-07-28 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 (2 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-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 NPSR1 4375/4885MAPT 3656/4885KDM4E 1989/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 NPSR1 4317/4885MAPT 3833/4885KDM4E 2103/4885

“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.