SCHEMBL25968043

SCHEMBL25968043

CC(C)c1c2ncccc2nn1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.36
HSP90AA1 P07900 2/20 0.33
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PRMT5 O14744 1/20 0.33
IDO1 P14902 1/20 0.33
HTT P42858 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
MMP2 P08253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL23067956 0.81 GRM4 (0.41) MAOBHSP90AA1NPC1L3MBTL1PRMT5
SCHEMBL25966751 0.77 TLR8 (0.35) MAOBL3MBTL1IDO1KDM4EMAPT
SCHEMBL25968042 0.73 MPO (0.42) KDM4EMAPTTSHRSMN1; SMN2TDP1
SCHEMBL25979760 0.69 HSP90AA1 (0.33) HSP90AA1NPC1L3MBTL1IDO1HTT
SCHEMBL25968045 0.66 LATS1 (0.34) HTTKDM4E
SCHEMBL25979765 0.66 HTR2A (0.31) HTR2AHTR2CHTR2B
Bromide SCHEMBL20530170 0.64 MPO (0.40) MAOBHSP90AA1NPC1L3MBTL1PRMT5
SCHEMBL25966735 0.63 SSTR4 (0.36) HSP90AA1NPC1L3MBTL1IDO1HTT
SCHEMBL23229480 0.63 HSP90AA1 (0.42) HSP90AA1NPC1L3MBTL1IDO1HTT
SCHEMBL4569225 0.63 ALDH1A1 (0.40) HSP90AA1NPC1L3MBTL1PRMT5HTT

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-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 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 (2 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-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 MAOB 3568/4885HSP90AA1 1164/4885NPC1 859/4885
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 MAOB 3559/4885HSP90AA1 1155/4885NPC1 830/4885

“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.