SCHEMBL16495441

SCHEMBL16495441

O=C(NCCCN1CCCC1=O)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
ALDH1A1 P00352 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.59
LMNA P02545 1/20 0.58
NAMPT P43490 2/20 0.56
MEN1 O00255 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
USP2 O75604 1/20 0.55
HPGD P15428 1/20 0.55
GABRA5 P31644 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
RCE1 Q9Y256 1/20 0.53
MAPK1 P28482 1/20 0.52
HPGDS O60760 1/20 0.52

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
SCHEMBL16495989 0.94 GABRA5 (0.60) TSHRALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL16496344 0.91 GABRA5 (0.57) TSHRALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL16496160 0.90 ALDH1A1 (0.60) TSHRALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL16495574 0.88 TSHR (0.59) TSHRALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL16495366 0.86 NPC1 (0.59) TSHRALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL23535583 0.83 TSHR (0.53) TSHRALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL16495582 0.83 NAMPT (0.53) TSHRALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL4707395 0.83 LMNA (0.75) TSHRALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL16495558 0.82 HPGDS (0.53) TSHRALDH1A1SMN1; SMN2LMNANAMPT
SCHEMBL25064154 0.82 USP2 (0.52) TSHRALDH1A1SMN1; SMN2LMNANAMPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 TSHR 3631/4885ALDH1A1 172/4885SMN1; SMN2 1659/4885

“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.