SCHEMBL20911013

SCHEMBL20911013

Cc1cc(C)cc(NC(=O)NCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.69
RAB9A P51151 7/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
TP53 P04637 1/20 0.69
HPGD P15428 1/20 0.69
POLB P06746 2/20 0.69
MAPT P10636 3/20 0.60
NAMPT P43490 1/20 0.58
MAOB P27338 1/20 0.56
HTT P42858 1/20 0.56
PTPN1 P18031 1/20 0.56

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
SCHEMBL20804368 0.88 NPC1 (0.65) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5853157 0.85 NPC1 (0.88) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4743393 0.83 NPC1 (0.73) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL28035640 0.83 CYP2C9 (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2831462 0.83 NPC1 (0.77) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8817030 0.83 LCK (0.65) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL13720058 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL19577671 0.81 NPC1 (0.70) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL23135815 0.79 RAB9A (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL3461361 0.79 CA2 (0.68) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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
CN-117886718-B Preparation method of high-selectivity asymmetric urea compound and asymmetric urea compound 内蒙古工业大学 2024-05-24 CN disclosed
CN-117886718-A Preparation method of high-selectivity asymmetric urea compound and asymmetric urea compound 内蒙古工业大学 2024-04-16 CN disclosed
US-20190284171-A1 METHOD OF CONVERTING CARBON DIOXIDE INTO CARBONYL COMPOUNDS TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2019-09-19 US disclosed
WO-2019073484-A1 METHOD OF CONVERTING CARBON DIOXIDE INTO CARBONYL COMPOUNDS TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2019-04-18 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 (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-20190284171-A1 METHOD OF CONVERTING CARBON DIOXIDE INTO CARBONYL COMPOUNDS CBR3, CBR1, NOX3 NPC1 934/4885RAB9A 3010/4885SMN1; SMN2 2479/4885

“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.