SCHEMBL2997023

SCHEMBL2997023

Cc1nc(-c2ccccc2)ccc1C(=O)NC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
LMNA P02545 2/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GAA P10253 3/20 0.59
RAB9A P51151 3/20 0.57
NPC1 O15118 3/20 0.57
CNR1 P21554 3/20 0.54
CNR2 P34972 3/20 0.54
HPGD P15428 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
MAOB P27338 1/20 0.50
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL2070222 0.81 MAPK1 (0.60) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL1969935 0.79 RAB9A (0.60) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL14970878 0.76 KDM4E (0.75) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL10052386 0.76 KDM4E (0.61) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL5419386 0.75 LMNA (0.52) ALDH1A1LMNAKMT2ASMN1; SMN2GAA
SCHEMBL1542696 0.75 ALDH1A1 (0.67) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL4429929 0.74 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL5426961 0.74 LMNA (0.53) ALDH1A1LMNASMN1; SMN2GAARAB9A
SCHEMBL11620052 0.73 GAA (0.64) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL4990548 0.73 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2

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-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US claimed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 ALDH1A1 172/4885LMNA 1347/4885KMT2A 3206/4885

“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.