SCHEMBL3255808

SCHEMBL3255808

S=C1N[C@H](c2ccccc2Cl)[C@H](c2ccccc2Cl)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.42
GAA P10253 5/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
AGTR1 P30556 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PBRM1 Q86U86 1/20 0.39
KLK3 P07288 1/20 0.38
AR P10275 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
RECQL P46063 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
SCHEMBL3255811 1.00 P2RX7 (0.42) P2RX7GAAKMT2AMEN1POLB
SCHEMBL3259104 0.76 MEN1 (0.48) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3259108 0.76 MEN1 (0.48) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3255023 0.74 GAA (0.42) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3254408 0.74 HTR2C (0.47) KMT2AMEN1TSHRALDH1A1TNKS2
SCHEMBL3255028 0.74 GAA (0.42) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL17472500 0.69 TP53 (0.46) GAAAGTR1SMN1; SMN2TP53RECQL
SCHEMBL5177430 0.68 MAPT (0.50) GAAKMT2AMEN1POLBSMN1; SMN2
SCHEMBL3258947 0.67 MEN1 (0.47) P2RX7KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL3259222 0.67 MEN1 (0.47) P2RX7KMT2AMEN1SMN1; SMN2TSHR

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 P2RX7 5/4885GAA 4232/4885KMT2A 3229/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 P2RX7 5/4885GAA 4232/4885KMT2A 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.