SCHEMBL30167809

SCHEMBL30167809

O=S(=O)(Nc1ccc(Cn2ccc3cnccc32)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 1/20 0.49
FLT1 P17948 5/20 0.48
KDR P35968 5/20 0.48
HTR6 P50406 1/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
NR1I2 O75469 3/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 1/20 0.43
KEAP1 Q14145 1/20 0.43

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 0.84 HTR6 (0.45) FLT1KDRHTR6KMT2ACYP2D6
SCHEMBL30167726 0.80 NAMPT (0.45) FLT1KDRHTR6KMT2A
SCHEMBL26703942 0.80 HTR6 (0.58) FLT1KDRHTR6KMT2AALDH1A1
SCHEMBL30167818 0.77 FLT1 (0.64) FLT1KDRHTT
SCHEMBL30167680 0.77 HTR6 (0.45) FLT1KDRHTR6NR1I2
SCHEMBL18952009 0.76 KDR (0.48) FLT1KDRHTR6KMT2A
SCHEMBL30167601 0.75 NAMPT (0.49) HTR6KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL3195444 0.75 NR1I2 (0.63) HTR6HTTMEN1KMT2ACYP3A4
SCHEMBL18939141 0.74 FLT1 (0.54) FLT1KDR
SCHEMBL1609414 0.73 HDAC1 (0.60) MEN1KMT2A

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 LIMK2 3346/4885FLT1 3727/4885KDR 3355/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 LIMK2 3316/4885FLT1 3779/4885KDR 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.