SCHEMBL5455073

SCHEMBL5455073

CCNC(=NC#N)N(Cc1cccnc1)[C@H]1CC[C@@H](C(NC(=O)c2ccccc2OC)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 2/20 0.35
GFER P55789 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNA5 P22460 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5460016 0.93 ALDH1A1 (0.39) MAPK1ALDH1A1L3MBTL1HPGDUBE2M
SCHEMBL5463877 0.87 RAB9A (0.39) MAPK1ALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL6220387 0.85 KCNA5 (0.39) MAPK1ALDH1A1L3MBTL1HPGDMEN1
SCHEMBL5460021 0.85 THRB (0.40) MAPK1ALDH1A1MAPTHPGDTSHR
SCHEMBL5462253 0.85 THRB (0.40) MAPK1ALDH1A1MAPTHPGDTSHR
SCHEMBL5474220 0.84 ALDH1A1 (0.41) MAPK1ALDH1A1HPGDMEN1KMT2A
SCHEMBL5467362 0.84 ALDH1A1 (0.41) MAPK1ALDH1A1HPGDMEN1KMT2A
SCHEMBL2878430 0.82 KCNA3 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL14491865 0.82 KCNA3 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL2877538 0.82 KCNA3 (0.51) ALDH1A1MEN1KMT2A

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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 MAPK1 1357/4885ALDH1A1 4075/4885L3MBTL1 1226/4885

“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.