SCHEMBL3982953

SCHEMBL3982953

O=C(NCCCl)N(S)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SPHK2 Q9NRA0 4/20 0.47
SPHK1 Q9NYA1 2/20 0.47
NR4A2 P43354 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMPD1 P17405 1/20 0.46
MAOB P27338 1/20 0.45
CYP2D6 P10635 2/20 0.45
PTGES O14684 1/20 0.45
PTPN1 P18031 1/20 0.44

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
SCHEMBL4358804 0.79 GPR34 (0.47) MEN1KMT2ASMN1; SMN2NR4A2HDAC3
SCHEMBL4981370 0.78 MTNR1A (0.61)
SCHEMBL3979441 0.76 MTNR1A (0.60) NPC1RAB9AMEN1KMT2ACYP2D6
SCHEMBL4357787 0.73 CYSLTR1 (0.46) SMPD1ALDH1A1
SCHEMBL1943090 0.72 NR4A2 (0.59) MEN1KMT2ASMN1; SMN2NR4A2SMPD1
SCHEMBL5174579 0.71 MAOB (0.56) KMT2ANR4A2SMPD1MAOBCYP2D6
SCHEMBL17066872 0.71 MTNR1B (0.74)
SCHEMBL3982947 0.70 MEN1 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7287723 0.70 NPC1 (0.67) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9164898 0.69 ALDH1A1 (0.56) KMT2ASPHK2SPHK1NR4A2SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2434/4885MEN1 2494/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 NPC1 1372/4885RAB9A 2430/4885MEN1 2000/4885

“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.