SCHEMBL13199895

SCHEMBL13199895

CN1CCN(c2nc3[nH]c(=O)n(C)c(=O)c3n2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 3/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL25215893 0.70 ALDH1A1 (0.50) ALDH1A1KMT2ATSHRLMNACYP3A4
SCHEMBL25234493 0.70 MAPT (0.50) ALDH1A1KMT2ATSHRLMNACYP3A4
SCHEMBL25205449 0.68 ALDH1A1 (0.48) ALDH1A1KMT2ATSHRLMNACYP3A4
SCHEMBL21602435 0.67 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRLMNACYP3A4
SCHEMBL25522498 0.67 LMNA (0.58) ALDH1A1KMT2ATSHRLMNACYP3A4
SCHEMBL6945818 0.66 DPP4 (0.48) ALDH1A1KMT2ATSHRMAPTPOLB
SCHEMBL25222508 0.66 ALDH1A1 (0.39) ALDH1A1KMT2ATSHRLMNACYP3A4
SCHEMBL13199927 0.66 DPP4 (0.42) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL25208682 0.65 ALDH1A1 (0.38) ALDH1A1KMT2ATSHRLMNACYP3A4
SCHEMBL13199922 0.65 POLB (0.50) ALDH1A1NPSR1KMT2APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 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 (2 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 ALDH1A1 1186/4885NPSR1 378/4885KMT2A 2285/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 ALDH1A1 686/4885NPSR1 1861/4885KMT2A 993/4885

“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.