SCHEMBL13033166

SCHEMBL13033166

COCCCCNc1cccc(C(C)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 1/20 0.55
HPGD P15428 3/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
MAPT P10636 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
SCHEMBL13033122 0.85 TRPV1 (0.44) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL3131808 0.83 ALDH1A1 (0.43) ALDH1A1MTNR1AMTNR1BMAPT
SCHEMBL15946004 0.83 MAPT (0.48) ALDH1A1RAB9AHPGDLMNAGAA
SCHEMBL11115690 0.82 KMT2A (0.61) ALDH1A1RAB9ANPC1HPGDLMNA
SCHEMBL11108977 0.82 KMT2A (0.53) ALDH1A1RAB9ANPC1HPGDLMNA
SCHEMBL13033087 0.82 SCN5A (0.53) ALDH1A1RAB9ALMNAMAPK1L3MBTL1
SCHEMBL9816317 0.81 L3MBTL1 (0.55) ALDH1A1RAB9AKMT2AMEN1MAPK1
SCHEMBL11935015 0.81 SMN1; SMN2 (0.49) ALDH1A1RAB9ANPC1HPGDLMNA
SCHEMBL30027786 0.81 ALDH1A1 (0.64) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL11113486 0.81 KMT2A (0.51) ALDH1A1RAB9ANPC1HPGDLMNA

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-20100286035-A1 NEUROMEDIN U DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-11 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-20100286035-A1 NEUROMEDIN U DERIVATIVE NMUR1, NMUR2, NMBR ALDH1A1 3894/4885RAB9A 3497/4885NPC1 3579/4885

“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.