SCHEMBL3255040

SCHEMBL3255040

Clc1ccc(CNC2=N[C@@H](c3ccccc3)CN2c2ccccc2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
LMNA P02545 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
P2RX7 Q99572 7/20 0.41
SIGMAR1 Q99720 1/20 0.40
EPHX2 P34913 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.37
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
PPARG P37231 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37

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
SCHEMBL3256934 1.00 KDM1A (0.49) KDM1ALMNAMAOAMAOBBCHE
SCHEMBL3251081 0.88 KDM1A (0.45) KDM1ALMNAMEN1KMT2AATM
SCHEMBL3256675 0.81 ALDH1A1 (0.39) KDM1AP2RX7SIGMAR1MEN1KMT2A
SCHEMBL3259028 0.81 ALDH1A1 (0.39) KDM1AP2RX7SIGMAR1MEN1KMT2A
SCHEMBL5731330 0.79 MEN1 (0.44) KDM1ALMNAMAOAMEN1KMT2A
SCHEMBL3256393 0.79 KDM1A (0.45) KDM1AMAOAMAOBP2RX7MEN1
SCHEMBL3256065 0.76 MEN1 (0.57) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL3255837 0.76 TACR1 (0.39) P2RX7EPHX2MEN1KMT2AATM
SCHEMBL3258954 0.76 TACR1 (0.39) P2RX7EPHX2MEN1KMT2AATM
SCHEMBL3251169 0.74 MEN1 (0.43) KDM1ALMNAMAOAMAOBBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741493-B2 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives; antiinflammatory agent, neurodegenerative diseases; inflammatory bowel disease, rheumatoid arthritis and diseases associated with central nervous system, such as Alzheimer's disease AVENTIS PHARMACEUTICALS INC. (US) 2010-06-22 US disclosed
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 EP disclosed
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2008-06-05 US disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 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-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS P2RX3, P2RX2, P2RX5 KDM1A 2282/4885LMNA 2997/4885MAOA 1491/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 KDM1A 2282/4885LMNA 2997/4885MAOA 1491/4885

“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.