SCHEMBL1482836

SCHEMBL1482836

COC(=O)COc1ccc(Cn2c(-c3ccc(Cl)cc3OC)nc3cc(F)c(F)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.41
P2RX3 P56373 5/20 0.39
LPAR2 Q9HBW0 1/20 0.39
PTGS2 P35354 2/20 0.39
TBXA2R P21731 2/20 0.39
DCTPP1 Q9H773 2/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DRD2 P14416 1/20 0.38
PTGES O14684 1/20 0.38
CNR1 P21554 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
LMNA P02545 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
SCHEMBL1482209 0.91 LPAR2 (0.42) CCR2P2RX3LPAR2PTGS2TBXA2R
SCHEMBL1482885 0.90 KDM4E (0.42) CCR2LPAR2TBXA2RTP53KDM4E
SCHEMBL1482801 0.89 TBXA2R (0.44) CCR2P2RX3TBXA2RDCTPP1KDM4E
SCHEMBL1482559 0.89 TSHR (0.40) CCR2LPAR2KDM4E
SCHEMBL1482749 0.89 P2RX3 (0.43) P2RX3CNR1
SCHEMBL1482665 0.88 KDM4E (0.47) CCR2P2RX3TBXA2RKDM4EDRD2
SCHEMBL1482646 0.85 DRD2 (0.53) P2RX3TBXA2RDCTPP1TP53DRD2
SCHEMBL1482685 0.82 KMT2A (0.48) TP53KDM4EPTGESLMNA
SCHEMBL1483074 0.82 NR1H4 (0.49) P2RX3LPAR2CNR1
SCHEMBL1484222 0.82 DRD2 (0.38) TBXA2RDCTPP1TP53DRD2GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 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 (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-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 CCR2 2930/4885P2RX3 557/4885LPAR2 4491/4885

“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.