SCHEMBL6516283

SCHEMBL6516283

S=C(NCCc1ccccc1)NCCc1ccc(Cl)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.88
MEN1 O00255 6/20 0.88
SMN1; SMN2 Q16637 3/20 0.79
NPC1 O15118 3/20 0.79
RAB9A P51151 3/20 0.79
MAPT P10636 6/20 0.77
MAPK1 P28482 3/20 0.65
LMNA P02545 5/20 0.65
ALDH1A1 P00352 5/20 0.64
ALOX12 P18054 3/20 0.64
GAA P10253 2/20 0.64
TAAR1 Q96RJ0 2/20 0.64
IDO1 P14902 1/20 0.64
HTT P42858 2/20 0.63
PTPN7 P35236 1/20 0.62
DUSP3 P51452 1/20 0.62
PTPN5 P54829 1/20 0.62
PTPN11 Q06124 1/20 0.62
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62

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
SCHEMBL6885865 0.93 KMT2A (0.75) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL6524477 0.89 RAB9A (1.00) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL6955649 0.87 MAPT (1.00) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL14859923 0.82 ALDH1A1 (0.81) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL19376048 0.80 PTPN7 (0.69) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL31657816 0.80 PTPN7 (0.69) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL158616 0.80 RAB9A (0.81) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL14433475 0.80 LMNA (0.64) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL9530086 0.79 MAPT (0.76) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL14434554 0.79 MEN1 (0.65) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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
US-20050096473-A1 Thiourea and urea liquid-phase combinatorial libraries: synthesis and apoptosis induction PARKER HUGHES INSTITUTE (US) 2005-05-05 US disclosed
US-6794541-B2 REACTING 1,1'-THIOCARBONYLDIIMIDAZOLE WITH AN AMINE SUCH AS BENZYLAMINE TO FORM VARIOUS THIOUREA PRODUCTS; KILLING CANCER CELLS; TREATING LEUKEMIA PARKER HUGHES INSTITUTE 2004-09-21 US disclosed
US-20020103380-A1 Thiourea and urea liquid-phase combinatorial libraries: synthesis and apoptosis induction PARKER HUGHES INSTITUTE 2002-08-01 US disclosed
WO-2000056681-A9 THIOUREA AND UREA LIQUID-PHASE COMBINATORIAL LIBRARIES: SYNTHESIS AND APOPTOSIS INDUCTION PARKER HUGHES INST (US) 2001-11-22 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-20050096473-A1 Thiourea and urea liquid-phase combinatorial libraries: synthesis and apoptosis induction CASP3, MCL1, BAD KMT2A 3633/4885MEN1 4186/4885SMN1; SMN2 3766/4885
US-20020103380-A1 Thiourea and urea liquid-phase combinatorial libraries: synthesis and apoptosis induction CASP3, MCL1, BAD KMT2A 3633/4885MEN1 4186/4885SMN1; SMN2 3766/4885

“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.