SCHEMBL3981844

SCHEMBL3981844

COc1cccc(OCCCCCOc2cccc(NC(N)=S)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
IDO1 P14902 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 1/20 0.48
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 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
SCHEMBL4092320 0.93 HPGD (0.53) MAPTMEN1KMT2AIDO1SIGMAR1
SCHEMBL4979323 0.90 HPGD (0.50) MAPTMEN1KMT2AIDO1SIGMAR1
SCHEMBL3975036 0.90 ADRB2 (0.48) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4977275 0.88 THRB (0.46) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3974860 0.87 ALDH1A1 (0.51) KMT2ASMN1; SMN2LMNANPC1ALDH1A1
SCHEMBL3977061 0.87 ALDH1A1 (0.51) KMT2ASMN1; SMN2LMNANPC1ALDH1A1
SCHEMBL3978614 0.87 ALDH1A1 (0.51) KMT2ASMN1; SMN2LMNANPC1ALDH1A1
SCHEMBL4080060 0.87 MAPT (0.47) MAPTMEN1KMT2AIDO1SIGMAR1
SCHEMBL73372 0.87 KMT2A (0.62) MAPTMEN1KMT2AIDO1SIGMAR1
SCHEMBL29838502 0.87 KMT2A (0.62) MAPTMEN1KMT2AIDO1SIGMAR1

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 MAPT 3656/4885MEN1 2494/4885KMT2A 1846/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 MAPT 3833/4885MEN1 2000/4885KMT2A 2203/4885

“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.