SCHEMBL6237795

SCHEMBL6237795

C=C(c1ccc(NC(=O)OC(C)(C)C)c(C)c1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
CYP17A1 P05093 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
POLB P06746 1/20 0.38
CCR2 P41597 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CISD2 Q8N5K1 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
ABCC9 O60706 2/20 0.37
ABCC8 Q09428 2/20 0.37
KCNJ11 Q14654 2/20 0.37
KCNJ8 Q15842 2/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL6238138 0.88 NPC1 (0.43) RAB9ANPC1SMN1; SMN2CYP17A1TAS1R3
SCHEMBL628865 0.81 MAPT (0.46) RAB9ANPC1SMN1; SMN2CYP17A1TAS1R3
SCHEMBL30587156 0.81 MAPT (0.46) RAB9ANPC1SMN1; SMN2CYP17A1TAS1R3
SCHEMBL6240779 0.81 ABCC9 (0.43) SMN1; SMN2CYP17A1TAS1R3TAS1R1TAS1R2
SCHEMBL11959276 0.80 LCK (0.49) RAB9ANPC1SMN1; SMN2CYP17A1TAS1R3
SCHEMBL6244352 0.79 TAS1R3 (0.43) RAB9ANPC1SMN1; SMN2CYP17A1TAS1R3
SCHEMBL5151365 0.77 ABCC9 (0.44) SMN1; SMN2CYP17A1TAS1R3TAS1R1TAS1R2
SCHEMBL8297312 0.77 SMN1; SMN2 (0.63) RAB9ANPC1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL6242548 0.77 ABCC9 (0.42) SMN1; SMN2CYP17A1TAS1R3TAS1R1TAS1R2
SCHEMBL29958958 0.75 SMN1; SMN2 (0.47) SMN1; SMN2POLBCISD2MAPTCA12

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-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-10 US disclosed
EP-1538138-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2005-06-08 EP 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-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent GCN1, L3MBTL3, L3MBTL4 RAB9A 456/4885NPC1 4522/4885SMN1; SMN2 2208/4885

“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.