SCHEMBL4982196

SCHEMBL4982196

O=C(Nc1ccc(N2CCOCC2)cc1)N(S)c1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
LMNA P02545 2/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
POLB P06746 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
SCHEMBL3978080 0.82 SLC1A3 (0.46) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3974424 0.78 ALDH1A1 (0.51) MAPTRAB9ANPC1USP2ALDH1A1
SCHEMBL4983894 0.74 SLC1A3 (0.39) MAPTRAB9ANPC1KMT2ASLC1A3
SCHEMBL4979619 0.74 SORT1 (0.45) MAPTRAB9ANPC1HDAC8HDAC6
SCHEMBL4980233 0.72 SLC1A3 (0.40) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL3980811 0.70 SLC1A3 (0.41) MAPTRAB9ANPC1KMT2ASLC1A3
SCHEMBL4983727 0.70 MAPT (0.40) MAPTRAB9ANPC1HDAC8HDAC6
SCHEMBL4979173 0.70 NAMPT (0.40) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL4261191 0.69 SLC1A3 (0.40) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3128185 0.68 MAPT (0.51) MAPTRAB9ANPC1USP2ALDH1A1

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 MAPT 3656/4885RAB9A 2434/4885NPC1 1677/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 MAPT 3833/4885RAB9A 2430/4885NPC1 1372/4885

“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.