SCHEMBL7243128

SCHEMBL7243128

O=C(NC1CCCCC1)c1ccc(=O)[nH]c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
NPC1 O15118 9/20 0.58
RAB9A P51151 8/20 0.58
HPGD P15428 5/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.57
CYP2D6 P10635 1/20 0.55
TSHR P16473 2/20 0.53
KMT2A Q03164 2/20 0.52
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
TP53 P04637 2/20 0.50
LMNA P02545 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL30786484 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPTCYP2D6KMT2A
SCHEMBL126657 0.81 NPC1 (0.82) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL520877 0.81 NPC1 (0.82) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL28928584 0.81 NPC1 (0.82) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL123652 0.79 NPC1 (0.79) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL12419746 0.76 SMN1; SMN2 (0.51) SMN1; SMN2MAPTCYP2D6KMT2AMAPK1
SCHEMBL29927547 0.76 NPC1 (0.74) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL518043 0.76 NPC1 (0.74) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL517178 0.76 NPC1 (0.74) SMN1; SMN2NPC1RAB9AHPGDCYP1A2
SCHEMBL517912 0.76 NPC1 (0.74) SMN1; SMN2NPC1RAB9AHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049330-A1 Novel pyridones and their use as modulators of serine hydrolase enzymes DALHOUSIE UNIVERSITY 2002-04-25 US claimed
US-6544986-B2 Such as 5-(N,N-dibenzyl)aminocarbonyl-2-pyridone; enzyme inhibitors; for treatment of Alzheimer's disease DALHOUSIE UNIVERSITY (CA) 2003-04-08 US disclosed
US-6436972-B1 HETEROCYCLIC AMIDES, USED AS ANTICHOLINERGICS AND SERINE PROTEASE STIMULANTS, FOR PROPHYLAXIS OF ALZHEIMER'S DISEASE, GLIOMAS AND VISION DEFECTS DALHOUSIE UNIVERSITY (CA) 2002-08-20 US disclosed
US-20020049330-A1 Novel pyridones and their use as modulators of serine hydrolase enzymes DALHOUSIE UNIVERSITY 2002-04-25 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-20020049330-A1 Novel pyridones and their use as modulators of serine hydrolase enzymes BCHE, PRSS1, BACE1 SMN1; SMN2 1213/4885NPC1 2234/4885RAB9A 2623/4885

“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.