SCHEMBL4980199

SCHEMBL4980199

COc1ccc(-c2ccccc2OCCCCCOc2cccc(NC(N)=S)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
SYK P43405 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL4084588 0.90 CYP1A2 (0.45) C5AR1SYKKDM4ESMN1; SMN2MAPT
SCHEMBL4267800 0.90 LMNA (0.48) C5AR1GAAKDM4ESMN1; SMN2TP53
SCHEMBL4086824 0.89 BCL9 (0.45) SMN1; SMN2MAPTLMNA
SCHEMBL4979323 0.89 HPGD (0.50) HPGDSMN1; SMN2MAPTTP53NPC1
SCHEMBL3974845 0.89 LMNA (0.49) C5AR1GAAKDM4ESMN1; SMN2TP53
SCHEMBL4080746 0.88 SIRT2 (0.41) C5AR1MAPTNPC1RAB9ALMNA
SCHEMBL4092320 0.88 HPGD (0.53) HPGDSMN1; SMN2MAPTTP53NPC1
SCHEMBL3980256 0.87 LMNA (0.49) C5AR1GAAKDM4ESMN1; SMN2TP53
SCHEMBL3975036 0.86 ADRB2 (0.48) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL14215452 0.86 F10 (0.41) C5AR1LMNAKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 C5AR1 3138/4885SYK 3130/4885AURKB 3568/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 C5AR1 2882/4885SYK 3473/4885AURKB 3556/4885

“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.