SCHEMBL4092320

SCHEMBL4092320

COc1ccc(OCCCCCOc2cccc(NC(N)=S)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 3/20 0.48
THRB P10828 1/20 0.48
TP53 P04637 3/20 0.48
TSHR P16473 1/20 0.48
FAAH O00519 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
IDO1 P14902 1/20 0.46
AR P10275 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL4979323 0.96 HPGD (0.50) HPGDKMT2AMEN1LMNAHTT
SCHEMBL3981844 0.93 MAPT (0.50) HPGDKMT2AMEN1LMNAMAPT
SCHEMBL4977275 0.90 THRB (0.46) HPGDKMT2AMEN1LMNAMAPT
SCHEMBL3974860 0.89 ALDH1A1 (0.51) KMT2ALMNAHTTTHRBTP53
SCHEMBL3977061 0.89 ALDH1A1 (0.51) KMT2ALMNAHTTTHRBTP53
SCHEMBL3978614 0.89 ALDH1A1 (0.51) KMT2ALMNAHTTTHRBTP53
SCHEMBL3975036 0.88 ADRB2 (0.48) KMT2AMEN1LMNAMAPTTHRB
SCHEMBL3973689 0.88 KMT2A (0.48) KMT2AMEN1MAPTTHRBFAAH
SCHEMBL4980199 0.88 C5AR1 (0.45) HPGDKMT2AMEN1LMNAHTT
SCHEMBL5060775 0.88 ALDH1A1 (0.53) HPGDKMT2AMEN1LMNAHTT

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 HPGD 4484/4885KMT2A 1846/4885MEN1 2494/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 HPGD 4424/4885KMT2A 2203/4885MEN1 2000/4885

“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.