SCHEMBL2652276

SCHEMBL2652276

Cc1ccc2c(B(O)O)cccc2n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NCF1 P14598 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
KDM1A O60341 1/20 0.36
METAP2 P50579 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
SCHEMBL29955050 1.00 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9POLBMEN1
Water SCHEMBL29955616 0.98 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9POLBMEN1
SCHEMBL29958192 0.81 HTR3A (0.34) ALDH1A1CYP1A2
SCHEMBL29950985 0.78 CYP1A2 (0.62) ALDH1A1CYP1A2MEN1KMT2ANCF1
SCHEMBL1134896 0.76 METAP2 (0.52) ALDH1A1CYP1A2CYP2C9POLBMEN1
SCHEMBL29391332 0.76 METAP2 (0.52) ALDH1A1CYP1A2CYP2C9POLBMEN1
SCHEMBL826491 0.75 CYP1A2 (0.57) ALDH1A1CYP1A2CYP2C9POLBKMT2A
SCHEMBL11249229 0.75 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C9POLBMEN1
SCHEMBL29957508 0.75 ADORA2A (0.40) KMT2A
SCHEMBL29096715 0.74 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9POLBMEN1

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-7279580-B2 Imidazo-pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LIMITED (GB) 2007-10-09 US disclosed
EP-1511747-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-04-12 EP disclosed
US-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2005-07-28 US disclosed
EP-1511747-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP disclosed
WO-2003099816-A1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 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-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA5 ALDH1A1 995/4885CYP1A2 138/4885CYP2C9 462/4885

“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.