SCHEMBL3259028

SCHEMBL3259028

Clc1ccc(CNC2=N[C@H](c3ccccc3)CN2c2ccccc2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
P2RX7 Q99572 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
CLPP Q16740 1/20 0.36
KDM1A O60341 1/20 0.36
SSTR3 P32745 1/20 0.35
DOCK5 Q9H7D0 1/20 0.35
CNR2 P34972 1/20 0.35
PLA2G1B P04054 1/20 0.35
POLB P06746 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL3256675 1.00 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AATMGAA
SCHEMBL5731330 0.85 MEN1 (0.44) ALDH1A1MEN1KMT2AATMHRH4
SCHEMBL3297432 0.82 MEN1 (0.43) ALDH1A1MEN1KMT2AATMGAA
SCHEMBL3251169 0.82 MEN1 (0.43) ALDH1A1MEN1KMT2AATMGAA
SCHEMBL3251081 0.82 KDM1A (0.45) ALDH1A1MEN1KMT2AATMGAA
SCHEMBL3255040 0.81 KDM1A (0.49) ALDH1A1MEN1KMT2AATMSIGMAR1
SCHEMBL3256934 0.81 KDM1A (0.49) ALDH1A1MEN1KMT2AATMSIGMAR1
SCHEMBL3248354 0.79 KDM1A (0.45) MEN1KMT2AATMKDM1A
SCHEMBL3255880 0.79 KDM1A (0.45) MEN1KMT2AATMKDM1A
SCHEMBL3254185 0.79 KDM1A (0.48) ALDH1A1MEN1KMT2AATMGAA

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 5 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
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 ALDH1A1 1913/4885MEN1 3313/4885KMT2A 3229/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 ALDH1A1 1913/4885MEN1 3313/4885KMT2A 3229/4885

“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.