SCHEMBL4975665

SCHEMBL4975665

O=C(NCCCCc1ccccc1)N(S)c1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
ASAH1 Q13510 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
NLRP3 Q96P20 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 3/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL4980968 0.97 MEN1 (0.44) HSP90AA1MEN1KMT2ANAMPTL3MBTL1
SCHEMBL3980745 0.93 NPC1 (0.44) MEN1KMT2AL3MBTL1PLAAT3PLAAT5
SCHEMBL3982025 0.85 MGLL (0.42) TRPV1MEN1KMT2ANAMPTLMNA
SCHEMBL4979475 0.85 MGLL (0.42) TRPV1MEN1KMT2ANAMPTLMNA
SCHEMBL4984400 0.85 MGLL (0.42) TRPV1MEN1KMT2ANAMPTLMNA
SCHEMBL3977113 0.85 MGLL (0.42) TRPV1MEN1KMT2ANAMPTLMNA
SCHEMBL4979942 0.84 MGLL (0.38) MEN1KMT2ANAMPTLMNAHPGD
SCHEMBL4980970 0.82 KDM4E (0.46) TSHRL3MBTL1HPGD
SCHEMBL4979173 0.82 NAMPT (0.40) NAMPTLMNAL3MBTL1
SCHEMBL4980961 0.81 LMNA (0.42) KMT2ALMNAHPGD

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 2 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-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 HSP90AA1 2247/4885ASAH1 3612/4885TRPV1 4670/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 HSP90AA1 1992/4885ASAH1 3548/4885TRPV1 4703/4885

“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.