SCHEMBL4080746

SCHEMBL4080746

NC(=S)Nc1cccc(OCCCCCOc2ccccc2-c2ccc(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.41
C5AR1 P21730 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
EPHX2 P34913 2/20 0.40
LMNA P02545 1/20 0.39
FABP4 P15090 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FABP1 P07148 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GCGR P47871 1/20 0.38
MAPK14 Q16539 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
SCHEMBL4267800 0.91 LMNA (0.48) C5AR1HTR1AHTR7LMNAKMT2A
SCHEMBL4086824 0.90 BCL9 (0.45) SIRT2EPHX2LMNAFABP1MAPT
SCHEMBL3974845 0.90 LMNA (0.49) C5AR1HTR1AHTR7LMNAKMT2A
SCHEMBL4084588 0.89 CYP1A2 (0.45) SIRT2C5AR1LMNANPC1RAB9A
SCHEMBL4980199 0.88 C5AR1 (0.45) C5AR1LMNAKMT2AMEN1NPC1
SCHEMBL4083630 0.88 EPHX2 (0.43) SIRT2EPHX2CRHBPCRHR2KMT2A
SCHEMBL3980256 0.88 LMNA (0.49) C5AR1HTR1AHTR7LMNAKMT2A
SCHEMBL14215452 0.87 F10 (0.41) SIRT2C5AR1LMNAKMT2AFABP1
SCHEMBL3984312 0.86 KIF11 (0.46) SIRT2EPHX2LMNAALDH1A1MAPT
SCHEMBL4283385 0.86 EPHX2 (0.46) SIRT2EPHX2CRHBPCRHR2KMT2A

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 SIRT2 3582/4885C5AR1 3138/4885HTR1A 4770/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 SIRT2 3921/4885C5AR1 2882/4885HTR1A 4702/4885

“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.