SCHEMBL30416835

SCHEMBL30416835

C[C@H]1CN(c2ncccc2Cl)C[C@H](C)O1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.51
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
MEN1 O00255 1/20 0.44
TRPV1 Q8NER1 4/20 0.44
CYP2A13 Q16696 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 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
SCHEMBL30416776 1.00 HSD11B1 (0.51) HSD11B1KMT2AKDM4EHTTTDP1
SCHEMBL15966074 0.82 ALDH1A1 (0.46) HSD11B1KMT2AKDM4EHTTALDH1A1
SCHEMBL13489654 0.81 HSD11B1 (0.51) HSD11B1TRPV1
SCHEMBL3210143 0.81 HSD11B1 (0.51) HSD11B1TRPV1
SCHEMBL30417113 0.81 HSD11B1 (0.51) HSD11B1TRPV1
SCHEMBL14803897 0.78 HSD11B1 (0.46) HSD11B1KMT2AKDM4EHTTALDH1A1
SCHEMBL19205730 0.78 KDM4E (0.46) KMT2AKDM4EHTTTDP1ALDH1A1
SCHEMBL20283136 0.77 HSD11B1 (0.48) HSD11B1TRPV1
SCHEMBL3287570 0.77 KDM4E (0.50) HSD11B1KDM4ETDP1ALDH1A1PIK3CD
SCHEMBL2247152 0.77 GAA (0.46) KMT2AKDM4EHTTALDH1A1PIK3CD

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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HSD11B1 3262/4885KMT2A 3772/4885KDM4E 3761/4885

“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.