SCHEMBL16707807

SCHEMBL16707807

O=S(=O)(Cc1ccc(F)c(F)c1)N1CCCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
NAMPT P43490 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL5359415 0.83 HPGD (0.56) NAMPTALDH1A1HPGDTSHRMAPT
SCHEMBL3210271 0.83 L3MBTL1 (0.44) L3MBTL1NAMPTNPC1
SCHEMBL5321672 0.81 MAPK1 (0.47) NAMPTNPC1
SCHEMBL5332752 0.81 TP53 (0.48) L3MBTL1NAMPTALDH1A1KDM4E
SCHEMBL16707667 0.78 FKBP1A (0.49) NAMPTLMNAALDH1A1HPGDMAPT
SCHEMBL5322483 0.76 NAMPT (0.43) L3MBTL1NAMPT
SCHEMBL5322490 0.76 GPR142 (0.46) NAMPTLMNAALDH1A1KDM4E
SCHEMBL5323146 0.76 ALDH1A1 (0.49) NAMPTLMNAALDH1A1TSHRMAPT
SCHEMBL5330616 0.75 ALDH1A1 (0.44) L3MBTL1NAMPTLMNAALDH1A1TSHR
SCHEMBL16707783 0.74 ADRB2 (0.49) L3MBTL1NAMPTLMNAALDH1A1MAPT

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-20150132258-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC., 2015-05-14 US disclosed
US-20150132258-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC., 2015-05-14 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-20150132258-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 L3MBTL1 4465/4885NAMPT 1474/4885LMNA 2166/4885

“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.