SCHEMBL2979840

SCHEMBL2979840

COc1ccc(Cn2c[c]nc2C(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
PDE8B O95263 1/20 0.42
CMA1 P23946 1/20 0.42
PARP10 Q53GL7 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP4 Q9UKK3 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
GAA P10253 1/20 0.40
CYP19A1 P11511 1/20 0.40
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL2970661 0.85 TP53 (0.42) NPC1RAB9ACYP11B1CYP11B2PARP10
SCHEMBL2983770 0.82 CHRM2 (0.47) CA1CA2ALDH1A1HDAC11HDAC8
SCHEMBL2972631 0.81 ADRA1D (0.46) PARP1ALDH1A1GAAKDM4E
SCHEMBL5982978 0.77 MAPT (0.49) NPC1RAB9ACYP11B1CYP11B2CMA1
SCHEMBL15520091 0.73 CACNA1G (0.43) NPC1RAB9APDE8BCMA1PARP10
SCHEMBL10757841 0.71 ERCC5 (0.61) RAB9APDE8BALDH1A1GAAMAPT
SCHEMBL18050879 0.70 NPC1 (0.47) NPC1RAB9ACYP11B1CYP11B2PDE8B
SCHEMBL7987441 0.70 MEN1 (0.49) NPC1RAB9ACYP11B1CYP11B2PDE8B
SCHEMBL11547939 0.70 NPC1 (0.47) NPC1RAB9ACYP11B1CYP11B2PDE8B
SCHEMBL11419391 0.70 ALDH1A1 (0.45) PDE8BCMA1PARP10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 US claimed
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US disclosed
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER INC (US) 2010-07-22 US disclosed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 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 (2 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-20070066613-A1 Imidazole compounds for the treatment of neurological disorders APP, PSEN1, BACE1 NPC1 606/4885RAB9A 1006/4885CYP11B1 295/4885
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APP, PSEN1, BACE1 NPC1 606/4885RAB9A 1006/4885CYP11B1 295/4885

“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.