SCHEMBL6645751

SCHEMBL6645751

O=C(Nc1ccc2c(c1)CCN2C(=O)Cc1ccccn1)c1cccnc1N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
SCN10A Q9Y5Y9 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KIF18A Q8NI77 8/20 0.47
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EIF2AK3 Q9NZJ5 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL6645705 0.91 SMN1; SMN2 (0.50) ALDH1A1L3MBTL1MAPTSMN1; SMN2EIF2AK3
SCHEMBL6646117 0.90 MAPT (0.48) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6646485 0.90 KMT2A (0.46) ALDH1A1L3MBTL1MEN1KMT2AKIF18A
SCHEMBL6647122 0.89 SCN10A (0.49) ALDH1A1L3MBTL1SCN10AMAPTSMN1; SMN2
SCHEMBL6643967 0.86 GAA (0.51) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6803877 0.86 SMO (0.47) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6647786 0.86 MAPT (0.54) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6645864 0.86 GAA (0.46) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6646675 0.86 GAA (0.46) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6646057 0.86 HTR2C (0.50) ALDH1A1MAPTSMN1; SMN2EIF2AK3HTR2A

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-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO 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-20040133008-A1 Amide compounds APOB, APOL1, LDLR ALDH1A1 2174/4885L3MBTL1 1609/4885SCN10A 1201/4885

“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.