SCHEMBL3977113

SCHEMBL3977113

CCCCCCCNC(=O)N(S)c1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
CNR2 P34972 1/20 0.37
NAMPT P43490 2/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
NAAA Q02083 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL4984400 1.00 MGLL (0.42) MGLLALDH1A1HPGDLMNAMEN1
SCHEMBL3982025 1.00 MGLL (0.42) MGLLALDH1A1HPGDLMNAMEN1
SCHEMBL4979475 1.00 MGLL (0.42) MGLLALDH1A1HPGDLMNAMEN1
SCHEMBL4979942 0.97 MGLL (0.38) MGLLALDH1A1HPGDLMNAMEN1
SCHEMBL4979173 0.92 NAMPT (0.40) LMNAHDAC3HDAC1HDAC2NAMPT
SCHEMBL4980970 0.88 KDM4E (0.46) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL4980233 0.87 SLC1A3 (0.40) MEN1KMT2ANAMPTSLC1A3SLC1A2
SCHEMBL4980961 0.87 LMNA (0.42) ALDH1A1HPGDLMNATP53KMT2A
SCHEMBL4983200 0.86 LMNA (0.43) ALDH1A1LMNAMEN1KMT2AHDAC3
SCHEMBL4979553 0.85 CYP1A2 (0.44) ALDH1A1HPGDLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522184-A Thiourea compounds NAT HEALTH RESEARCH INSTITUTES (CN) 2009-09-02 CN disclosed
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 MGLL 2971/4885ALDH1A1 820/4885HPGD 4484/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 MGLL 3250/4885ALDH1A1 500/4885HPGD 4424/4885

“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.