SCHEMBL4980968

SCHEMBL4980968

O=C(NCCCc1ccccc1)N(S)c1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MMP8 P22894 2/20 0.42
POLB P06746 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
RAB9A P51151 1/20 0.40
NAMPT P43490 4/20 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
SCHEMBL4975665 0.97 HSP90AA1 (0.46) MEN1KMT2ACNR1CNR2L3MBTL1
SCHEMBL3980745 0.94 NPC1 (0.44) MEN1KMT2AL3MBTL1POLBPLAAT3
SCHEMBL4979942 0.85 MGLL (0.38) MEN1KMT2ARAB9ANAMPT
SCHEMBL3977113 0.84 MGLL (0.42) MEN1KMT2ACNR2RAB9ANAMPT
SCHEMBL3982025 0.84 MGLL (0.42) MEN1KMT2ACNR2RAB9ANAMPT
SCHEMBL4979475 0.84 MGLL (0.42) MEN1KMT2ACNR2RAB9ANAMPT
SCHEMBL4984400 0.84 MGLL (0.42) MEN1KMT2ACNR2RAB9ANAMPT
SCHEMBL4980970 0.83 KDM4E (0.46) L3MBTL1
SCHEMBL4979173 0.82 NAMPT (0.40) L3MBTL1RAB9ANAMPT
SCHEMBL4980961 0.82 LMNA (0.42) KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 MEN1 2494/4885KMT2A 1846/4885CNR1 2464/4885

“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.