SCHEMBL24324679

SCHEMBL24324679

CC#Cc1cc(C)c(C2C(=O)CCCN(C(=O)C(=O)Nc3ccccn3)CCCC2=O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM5 P41594 2/20 0.34
RIPK1 Q13546 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL24324680 0.87 NPC1 (0.35) NPC1RAB9APKMSMN1; SMN2HTT
SCHEMBL22992111 0.79 TRPV1 (0.38) POLBGRM5
SCHEMBL24324949 0.78 NPC1 (0.31) NPC1RAB9ASMN1; SMN2
SCHEMBL22992106 0.78 FAAH (0.38) HTTALDH1A1KDM4EGRM5KMT2A
SCHEMBL23344423 0.76 CNR1 (0.32) HTTPOLB
SCHEMBL22992172 0.76 PDE4B (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL29342691 0.74 DPP4 (0.39)
SCHEMBL22907832 0.74 ACACB (0.32) POLB
SCHEMBL22992066 0.74 GRM4 (0.39) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL22942017 0.74 NPC1 (0.41) NPC1RAB9APKMSMN1; SMN2ALDH1A1

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-20220117228-A1 SUBSTITUTED AZASPIRO-CYCLES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2022-04-21 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-20220117228-A1 SUBSTITUTED AZASPIRO-CYCLES AS HERBICIDES DDT, DHFR, CCNB3 NPC1 4792/4885RAB9A 2861/4885PKM 3129/4885

“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.