SCHEMBL4552328

SCHEMBL4552328

C=CCc1nc(C(=O)OCC)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL27309405 0.83 CYP1A2 (0.51) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL6494248 0.80 CYP1A2 (0.49) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL6898204 0.79 HCAR2 (0.34) ALDH1A1MAPTKDM4EHSD17B10GAA
SCHEMBL13732641 0.77 CYP1A2 (0.45) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL6801869 0.76 CYP1A2 (0.55) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3809367 0.74 CYP1A2 (0.53) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL165586 0.74 CYP1A2 (0.53) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL27152547 0.74 CYP1A2 (0.49) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL11435544 0.73 KMT2A (0.47) CYP1A2ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL1966536 0.73 PDE3B (0.48) CYP1A2ALDH1A1MEN1KMT2AMAPT

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 CYP1A2 3803/4885ALDH1A1 3972/4885MEN1 2657/4885

“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.