SCHEMBL1482801

SCHEMBL1482801

COC(=O)Cc1ccc(Cn2c(-c3ccc(Cl)cc3OC)nc3cc(F)c(F)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.44
DRD2 P14416 2/20 0.44
KDM4E B2RXH2 1/20 0.40
PTGES O14684 1/20 0.40
CNR1 P21554 1/20 0.40
CCR2 P41597 1/20 0.39
P2RX3 P56373 4/20 0.38
KMT2A Q03164 2/20 0.38
MDM2 Q00987 1/20 0.37
NR1H4 Q96RI1 2/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
DCTPP1 Q9H773 1/20 0.37
PTGES2 Q9H7Z7 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
SCHEMBL1482665 0.91 KDM4E (0.47) TBXA2RDRD2KDM4EPTGESCNR1
SCHEMBL1483090 0.90 TBXA2R (0.46) TBXA2RDRD2KDM4EKMT2ANR1H4
SCHEMBL1482836 0.89 CCR2 (0.41) TBXA2RDRD2KDM4EPTGESCNR1
SCHEMBL1482646 0.89 DRD2 (0.53) TBXA2RDRD2P2RX3KMT2ANR1H4
SCHEMBL1482644 0.87 NR1H4 (0.43) TBXA2RDRD2CNR1P2RX3NR1H4
SCHEMBL1482685 0.85 KMT2A (0.48) KDM4EPTGESKMT2ALMNA
SCHEMBL1483030 0.84 DRD2 (0.47) TBXA2RDRD2CCR2P2RX3
SCHEMBL1482892 0.83 KMT2A (0.45) KDM4ECCR2KMT2AGRIN1GRIN2B
SCHEMBL1484222 0.83 DRD2 (0.38) TBXA2RDRD2KMT2AMDM2GRIN1
SCHEMBL1482332 0.82 DYRK1A (0.39) KDM4ECNR1P2RX3NR1H4

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 TBXA2R 92/4885DRD2 1464/4885KDM4E 1791/4885

“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.