SCHEMBL3974845

SCHEMBL3974845

NC(=S)Nc1cccc(OCCCCOc2ccccc2-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
TP53 P04637 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
C5AR1 P21730 2/20 0.44
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 3/20 0.43
TYR P14679 1/20 0.43
TSHR P16473 1/20 0.43
TAS2R38 P59533 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 2/20 0.42
ADRB2 P07550 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL4267800 0.99 LMNA (0.48) LMNATP53MAPK1RAB9AC5AR1
SCHEMBL3980256 0.98 LMNA (0.49) LMNATP53MAPK1RAB9AC5AR1
SCHEMBL4086824 0.91 BCL9 (0.45) LMNASMN1; SMN2
SCHEMBL4080746 0.90 SIRT2 (0.41) LMNARAB9AC5AR1ALDH1A1KMT2A
SCHEMBL4084588 0.90 CYP1A2 (0.45) LMNATP53MAPK1RAB9AC5AR1
SCHEMBL4980199 0.89 C5AR1 (0.45) LMNATP53MAPK1RAB9AC5AR1
SCHEMBL4980619 0.89 CYP1A2 (0.50) LMNAMAPK1C5AR1KDM4EALDH1A1
SCHEMBL4979385 0.89 MAPT (0.40) LMNAKMT2ASMN1; SMN2
SCHEMBL14215452 0.88 F10 (0.41) LMNAC5AR1KMT2A
SCHEMBL3984312 0.87 KIF11 (0.46) LMNAALDH1A1HTT

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
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

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 LMNA 4873/4885TP53 1137/4885MAPK1 2835/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 LMNA 4858/4885TP53 1194/4885MAPK1 2328/4885

“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.