SCHEMBL2104755

SCHEMBL2104755

Clc1ccccc1Cc1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
KMT2A Q03164 1/20 0.42
AR P10275 1/20 0.40
IDO1 P14902 2/20 0.39
PNMT P11086 1/20 0.39
DAO P14920 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PNP P00491 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MPO P05164 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
SCHEMBL222967 0.84 KMT2A (0.45) KMT2AIDO1PNMTDAOTAAR1
SCHEMBL10836924 0.81 TAAR1 (0.42) KMT2AIDO1PNMTDAOTAAR1
SCHEMBL2103299 0.80 TAAR1 (0.46) KMT2AARTAAR1KDM4ELMNA
SCHEMBL11047730 0.79 TAAR1 (0.36) KMT2ATAAR1KDM4ELMNAMAPT
SCHEMBL2103781 0.79 TAAR1 (0.41) IDO1TAAR1ADORA2A
SCHEMBL6972728 0.79 ALDH1A1 (0.42) HTR2CHTR2BKMT2AARTAAR1
SCHEMBL11048352 0.79 ALDH1A1 (0.42) HTR2CHTR2BARIDO1DAO
SCHEMBL2103378 0.78 TAAR1 (0.40) ARTAAR1KDM4ELMNASMN1; SMN2
SCHEMBL2103787 0.76 DPP4 (0.43) KMT2A
SCHEMBL10743388 0.75 TAAR1 (0.47) KMT2AIDO1PNMTDAOTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 EP claimed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US claimed
EP-0024829-A1 4-Benzyl- and 4-benzoylimidazole derivatives, processes for their preparation and pharmaceutical compositions comprising the same Farmos-Yhtyma Oy (FI) 1981-03-11 EP claimed
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
EP-0024829-B1 4-BENZYL- AND 4-BENZOYLIMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Farmos-Yhtyma Oy (FI) 1984-04-25 EP disclosed
US-4443466-A DIURETICS, SEDATIVES, ANALGESICS Farmos-Yhtyma OY (Farmos Group Ltd.) (FI) 1984-04-17 US disclosed
EP-0024829-A1 4-Benzyl- and 4-benzoylimidazole derivatives, processes for their preparation and pharmaceutical compositions comprising the same Farmos-Yhtyma Oy (FI) 1981-03-11 EP 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 HTR2C 16/4885HTR2B 12/4885KMT2A 1370/4885

“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.