SCHEMBL22649388

SCHEMBL22649388

Nc1ccc(OC(=O)N/N=C/c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KMT2A Q03164 9/20 0.54
MEN1 O00255 6/20 0.54
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.49
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MIF P14174 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL14938438 0.89 RAB9A (0.63) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL14938440 0.89 RAB9A (0.63) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL14938474 0.81 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP1A2KMT2A
SCHEMBL16908701 0.81 NPC1 (0.55) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL14938473 0.81 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP1A2KMT2A
SCHEMBL15431449 0.81 KMT2A (0.58) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL7929790 0.77 RAB9A (1.00) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL20299131 0.77 RAB9A (1.00) SMN1; SMN2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL14938480 0.76 ALDH1A1 (0.65) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL14938482 0.76 ALDH1A1 (0.65) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9

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-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 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-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF DNPEP, PEPD, ANPEP SMN1; SMN2 2025/4885NPC1 959/4885RAB9A 3567/4885

“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.