SCHEMBL3980745

SCHEMBL3980745

O=C(NCCc1ccccc1)N(S)c1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PLAAT5 Q96KN8 4/20 0.42
PLAAT4 Q9UL19 4/20 0.42
PLAAT3 P53816 2/20 0.42
PLAAT2 Q9NWW9 2/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL4980968 0.94 MEN1 (0.44) RAB9APLAAT5PLAAT4PLAAT3PLAAT2
SCHEMBL4975665 0.93 HSP90AA1 (0.46) PLAAT5PLAAT4PLAAT3PLAAT2MEN1
SCHEMBL4979173 0.84 NAMPT (0.40) NPC1RAB9AGAAL3MBTL1HDAC3
SCHEMBL4979553 0.82 CYP1A2 (0.44) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL4979942 0.82 MGLL (0.38) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL4980233 0.82 SLC1A3 (0.40) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL4984400 0.81 MGLL (0.42) RAB9AMEN1ALDH1A1KMT2ANPSR1
SCHEMBL4979475 0.81 MGLL (0.42) RAB9AMEN1ALDH1A1KMT2ANPSR1
SCHEMBL3977113 0.81 MGLL (0.42) RAB9AMEN1ALDH1A1KMT2ANPSR1
SCHEMBL3982025 0.81 MGLL (0.42) RAB9AMEN1ALDH1A1KMT2ANPSR1

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 NPC1 1677/4885RAB9A 2434/4885PLAAT5 2806/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 NPC1 1372/4885RAB9A 2430/4885PLAAT5 3060/4885

“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.