SCHEMBL4893133

SCHEMBL4893133

CCC(=NC#N)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
ALOX12 P18054 3/20 0.43
HPGD P15428 3/20 0.43
IDO1 P14902 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALPL P05186 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
RIPK1 Q13546 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GRIN2D O15399 1/20 0.40

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
SCHEMBL4893125 1.00 MCL1 (0.46) MCL1ALOX12HPGDIDO1ALDH1A1
SCHEMBL5325033 0.78 KMT2A (0.55) MCL1HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL19468310 0.78 L3MBTL1 (0.44) MCL1ALOX12HPGDIDO1ALDH1A1
SCHEMBL19468308 0.78 L3MBTL1 (0.44) MCL1ALOX12HPGDIDO1ALDH1A1
SCHEMBL24797746 0.77 MCL1 (0.46) MCL1ALOX12HPGDIDO1ALDH1A1
SCHEMBL10455929 0.76 GRIN2D (0.59) MCL1ALOX12HPGDIDO1ALDH1A1
SCHEMBL9315232 0.76 GRIN1 (0.59) ALOX12HPGDIDO1ALDH1A1GAA
SCHEMBL9315226 0.76 GRIN1 (0.59) ALOX12HPGDIDO1ALDH1A1GAA
SCHEMBL4891372 0.75 IDO1 (0.45) MCL1ALOX12HPGDIDO1ALDH1A1
SCHEMBL19494294 0.75 IDO1 (0.53) MCL1ALOX12HPGDIDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US claimed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators ASTRAZENECA AB (SE) 2008-12-18 US disclosed
WO-2007073299-A1 IMIDAZOLES AS GABA-B RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-06-28 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-20080312305-A1 Imidazoles as Gaba- B Receptor Modulators GABRB1, GABBR2, GABRB2 MCL1 4531/4885ALOX12 2342/4885HPGD 2046/4885

“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.