SCHEMBL2103277

SCHEMBL2103277

Fc1cccc(Cl)c1Cc1c[nH]cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
DAO P14920 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PPP1CA P62136 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
BACE1 P56817 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL2103299 0.89 TAAR1 (0.46) TAAR1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL11054923 0.89 AR (0.37) TAAR1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL4626492 0.85 LMNA (0.39) DAOKDM4ESMN1; SMN2HTTLMNA
SCHEMBL2100719 0.79 TAAR1 (0.40) TAAR1LMNA
SCHEMBL2103378 0.79 TAAR1 (0.40) TAAR1KDM4ESMN1; SMN2LMNA
SCHEMBL2103488 0.78 CYP2A6 (0.41) TAAR1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL10739171 0.77 TAAR1 (0.42) TAAR1DAOKDM4ECYP1A2CYP3A4
SCHEMBL10743975 0.77 DAO (0.38) TAAR1DAOKDM4ECYP1A2CYP3A4
SCHEMBL5404815 0.75 TAAR1 (0.45) TAAR1DAOKDM4ECYP1A2CYP3A4
SCHEMBL14232742 0.75 TAAR1 (0.45) TAAR1DAOKDM4ECYP1A2CYP3A4

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 TAAR1 79/4885DAO 2370/4885KDM4E 1755/4885

“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.