SCHEMBL30167764

SCHEMBL30167764

O=S(=O)(c1ccccc1)c1ccc(Cn2cnc3cnccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 4/20 0.50
KDM4C Q9H3R0 1/20 0.50
LTA4H P09960 1/20 0.50
TNF P01375 1/20 0.50
MET P08581 1/20 0.48
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
NR1I2 O75469 6/20 0.47
LMNA P02545 1/20 0.46
FGFR1 P11362 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL26704721 0.85 CYP11B1 (0.68) CYP11B1CYP11B2KDM4CLTA4HTNF
SCHEMBL30167767 0.79 HTR6 (0.45) KDM4C
SCHEMBL13508711 0.78 CYP11B1 (0.65) CYP11B1CYP11B2KDM4CLTA4HTNF
SCHEMBL8131581 0.78 MMP2 (0.54) NR1I2ALDH1A1
SCHEMBL10468250 0.78 TP53 (0.59) CYP11B1CYP11B2KDM4CLTA4HTNF
SCHEMBL31229302 0.77 CYP11B1 (0.66) CYP11B1CYP11B2KDM4CLTA4HTNF
SCHEMBL22533680 0.76 LTA4H (0.45) CYP11B1CYP11B2KDM4CLTA4HTNF
SCHEMBL30167601 0.76 NAMPT (0.49) KDM4C
SCHEMBL8131955 0.75 NR1I2 (0.46) LTA4HNR1I2ALDH1A1
SCHEMBL27441902 0.75 LTA4H (0.46) CYP11B1CYP11B2KDM4CLTA4HTNF

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 CYP11B1 535/4885CYP11B2 489/4885KDM4C 1563/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 CYP11B1 455/4885CYP11B2 427/4885KDM4C 1519/4885

“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.