SCHEMBL2103787

SCHEMBL2103787

c1ccc(-c2ccccc2Cc2c[nH]cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
KMT2A Q03164 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
CD274 Q9NZQ7 2/20 0.35
PDCD1 Q15116 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTR7 P34969 1/20 0.33
FOLH1 Q04609 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL2744492 0.84 PTGDR2 (0.40) CYP11B1CYP11B2PTGDR2
SCHEMBL4628159 0.81 CD274 (0.38) CD274PTGDR2ALDH1A1
SCHEMBL28720200 0.78 SCN8A (0.45) DPP4CYP11B1CYP11B2CD274HDAC3
SCHEMBL2103488 0.77 CYP2A6 (0.41) DPP4KMT2AALDH1A1
SCHEMBL11047730 0.76 TAAR1 (0.36) KMT2AKCNH2ALDH1A1
SCHEMBL2103781 0.76 TAAR1 (0.41) ALDH1A1
SCHEMBL2104755 0.76 HTR2C (0.42) KMT2A
SCHEMBL11048352 0.76 ALDH1A1 (0.42) ALDH1A1
SCHEMBL6972728 0.76 ALDH1A1 (0.42) KMT2ACYP11B1CYP11B2ALDH1A1
SCHEMBL649075 0.74 ALDH1A1 (0.46) KMT2AADRA1DADRA1AADRA1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374832-B Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE 2013-03-06 CN claimed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP claimed
CN-101374832-A Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-25 CN claimed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP claimed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US claimed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO claimed
CN-101374832-B Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE 2013-03-06 CN disclosed
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP disclosed
CN-101374832-A Use of 4-imidazole derivatives for CNS disorders HOFFMANN LA ROCHE (CH) 2009-02-25 CN disclosed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A DPP4 526/4885KMT2A 1370/4885CYP11B1 11/4885

“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.