SCHEMBL4084588

SCHEMBL4084588

Cc1ccc(-c2ccccc2OCCCCCOc2cccc(NC(N)=S)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.41
SYK P43405 1/20 0.41
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
THRB P10828 1/20 0.39
FAAH O00519 1/20 0.39
C5AR1 P21730 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FABP1 P07148 1/20 0.38
KDM4E B2RXH2 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) ALDH1A1LMNAC5AR1SMN1; SMN2TP53
SCHEMBL4980199 0.90 C5AR1 (0.45) CYP1A2SYKALDH1A1LMNACYP3A4
SCHEMBL4980619 0.90 CYP1A2 (0.50) CYP1A2SIRT2ALDH1A1LMNATHRB
SCHEMBL4086824 0.90 BCL9 (0.45) SIRT2LMNASMN1; SMN2FABP1MAPT
SCHEMBL3974845 0.90 LMNA (0.49) ALDH1A1LMNAC5AR1SMN1; SMN2TP53
SCHEMBL4080746 0.89 SIRT2 (0.41) SIRT2ALDH1A1LMNAC5AR1FABP1
SCHEMBL3980256 0.88 LMNA (0.49) ALDH1A1LMNAC5AR1SMN1; SMN2TP53
SCHEMBL3978011 0.88 CYP1A2 (0.50) CYP1A2SIRT2ALDH1A1CYP3A4CYP2C9
SCHEMBL14215452 0.87 F10 (0.41) SIRT2LMNAC5AR1FABP1
SCHEMBL3984312 0.86 KIF11 (0.46) SIRT2ALDH1A1LMNAL3MBTL1MAPT

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 CYP1A2 555/4885SIRT2 3582/4885SYK 3130/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 CYP1A2 556/4885SIRT2 3921/4885SYK 3473/4885

“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.