SCHEMBL30167680

SCHEMBL30167680

O=S(=O)(c1ccccc1)c1cccc(Cn2ccc3cnccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
KDM4C Q9H3R0 2/20 0.44
KDR P35968 8/20 0.43
FLT1 P17948 6/20 0.43
AURKA O14965 1/20 0.42
DCLK1 O15075 1/20 0.42
PDPK1 O15530 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
EGFR P00533 1/20 0.42
NTRK1 P04629 1/20 0.42
PRKCG P05129 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CDK1 P06493 1/20 0.42
LYN P07948 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 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
SCHEMBL30167767 0.89 HTR6 (0.45) HTR6KDM4CKDRFLT1NAMPT
SCHEMBL30167726 0.82 NAMPT (0.45) HTR6KDRFLT1NAMPT
SCHEMBL26703942 0.82 HTR6 (0.58) HTR6KDM4CKDRFLT1DYRK1A
SCHEMBL30167565 0.80 NAMPT (0.45) HTR6KDM4CNAMPT
SCHEMBL30167601 0.79 NAMPT (0.49) HTR6KDM4CNAMPT
SCHEMBL30167676 0.78 NAMPT (0.48) HTR6KDM4CKDRFLT1NAMPT
SCHEMBL30167809 0.77 LIMK2 (0.49) HTR6KDRFLT1NR1I2
SCHEMBL30241454 0.72 HTR6 (0.49) HTR6NR1I2
SCHEMBL28658614 0.71 KDR (0.46) HTR6KDRFLT1MAOB
SCHEMBL30167832 0.71 NAMPT (0.49) NAMPTNPC1

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-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 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-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT HTR6 1677/4885KDM4C 1563/4885KDR 3355/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 HTR6 1683/4885KDM4C 1519/4885KDR 3461/4885

“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.