SCHEMBL3258682

SCHEMBL3258682

N[C@H](c1ccccc1Cl)[C@@H](N)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
TDO2 P48775 2/20 0.48
IDO2 Q6ZQW0 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
NFKB1 P19838 1/20 0.48
PNMT P11086 1/20 0.48
ESR1 P03372 1/20 0.48
TSHR P16473 5/20 0.47
LMNA P02545 3/20 0.47
NISCH Q9Y2I1 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
AOC3 Q16853 1/20 0.44
HIF1A Q16665 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NR1I2 O75469 1/20 0.43

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
SCHEMBL24017077 1.00 IDO1 (0.48) IDO1TDO2IDO2CYP3A4CYP1A2
SCHEMBL3256679 1.00 IDO1 (0.48) IDO1TDO2IDO2CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL19951702 0.97 IDO1 (0.50) IDO1TDO2IDO2CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL14119664 0.97 IDO1 (0.50) IDO1TDO2IDO2CYP3A4CYP1A2
Hydrochloric Acid SCHEMBL31225661 0.97 IDO1 (0.50) IDO1TDO2IDO2CYP3A4CYP1A2
SCHEMBL17407612 0.85 CYP3A4 (0.52) IDO1TDO2IDO2CYP3A4CYP1A2
SCHEMBL31521452 0.85 CYP3A4 (0.52) IDO1TDO2IDO2CYP3A4CYP1A2
SCHEMBL14862293 0.85 CYP3A4 (0.52) IDO1TDO2IDO2CYP3A4CYP1A2
SCHEMBL11084981 0.85 CYP3A4 (0.57) IDO1TDO2IDO2CYP3A4CYP1A2
SCHEMBL31521314 0.85 IDO1 (0.42) IDO1TDO2IDO2CYP3A4CYP1A2

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 IDO1 993/4885TDO2 1296/4885IDO2 992/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 IDO1 993/4885TDO2 1296/4885IDO2 992/4885

“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.