SCHEMBL4552326

SCHEMBL4552326

C=CC(C(=O)OCC)n1ccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MITF O75030 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP26A1 O43174 3/20 0.37
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL28131809 0.84 ALDH1A1 (0.45) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL27455193 0.80 ALDH1A1 (0.41) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL6171379 0.79 TBXA2R (0.41) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL9460010 0.79 TBXA2R (0.41) KMT2AALDH1A1MAPTMEN1KDM4E
Hydrochloric Acid SCHEMBL27784829 0.79 ALDH1A1 (0.36) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL26660824 0.78 CYP26A1 (0.41) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL6898202 0.76 CYP17A1 (0.44) KMT2AALDH1A1KDM4ECYP26A1TBXAS1
SCHEMBL25196732 0.76 CYP26A1 (0.40) KMT2AALDH1A1MAPTMEN1KDM4E
Bromide SCHEMBL28405764 0.75 CYP17A1 (0.43) KMT2AALDH1A1KDM4ECYP26A1TBXAS1
Hydrochloric Acid SCHEMBL28870357 0.75 CYP17A1 (0.43) ALDH1A1KDM4ECYP26A1TBXAS1CYP19A1

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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 KMT2A 4575/4885ALDH1A1 3972/4885MAPT 2493/4885

“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.