SCHEMBL2183405

SCHEMBL2183405

Cc1cc(-c2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 3/20 0.42
TP53 P04637 2/20 0.42
ALOX12 P18054 1/20 0.42
HAVCR2 Q8TDQ0 1/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL24623120 0.84 ALDH1A1 (0.61) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL19859806 0.83 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL2891668 0.82 HDAC6 (0.51) NPC1RAB9AHTTSMN1; SMN2KDM4E
SCHEMBL1847192 0.81 HPGD (0.42) NPC1RAB9AHTTSMN1; SMN2KDM4E
SCHEMBL24623365 0.79 NPC1 (0.66) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL24473988 0.77 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL30587149 0.77 NPC1 (0.61) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL2889936 0.77 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL2884209 0.75 ALDH1A1 (0.42) NPC1RAB9AHTTSMN1; SMN2KDM4E
SCHEMBL5178800 0.75 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 NPC1 2992/4885RAB9A 405/4885HTT 3414/4885

“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.