SCHEMBL3976450

SCHEMBL3976450

COc1ccc(OCCCCCOc2cccc(N(S)C(N)=O)c2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
MTNR1A P48039 9/20 0.42
MTNR1B P49286 9/20 0.42
BCHE P06276 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR1H3 Q13133 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LPAR1 Q92633 1/20 0.39
HDAC1 Q13547 1/20 0.39
LTB4R Q15722 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4237783 0.91 LMNA (0.47) MTNR1AMTNR1BMEN1CYP1A2CYP3A4
SCHEMBL4977288 0.89 MTNR1A (0.45) MTNR1AMTNR1BNR1H3LTB4RTHRA
SCHEMBL3980251 0.88 KMT2A (0.43) MTNR1AMTNR1BMEN1KMT2AL3MBTL1
SCHEMBL3976814 0.87 KCNA3 (0.54) MRGPRX4CNR2
SCHEMBL3977812 0.87 KCNA3 (0.54) MRGPRX4CNR2
SCHEMBL3979123 0.87 KCNA3 (0.54) MRGPRX4CNR2
SCHEMBL4982992 0.87 KCNA3 (0.54) MRGPRX4CNR2
SCHEMBL3984511 0.85 KCNA3 (0.56) MRGPRX4
SCHEMBL3978015 0.85 HDAC1 (0.42) MTNR1AMTNR1BMEN1KMT2AHDAC1
SCHEMBL3981848 0.85 MTNR1A (0.48) MRGPRX4MTNR1AMTNR1BKMT2AL3MBTL1

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 4 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-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 MRGPRX4 2232/4885MTNR1A 4535/4885MTNR1B 3855/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 MRGPRX4 2155/4885MTNR1A 4383/4885MTNR1B 3688/4885

“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.