SCHEMBL2100541

SCHEMBL2100541

COC(=O)c1ccc2c(c1)nc(Cl)n2Cc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
DRD2 P14416 9/20 0.52
TBXA2R P21731 9/20 0.52
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.51
PPARG P37231 1/20 0.49
IDH1 O75874 1/20 0.48
P2RX3 P56373 1/20 0.48
AGTR1 P30556 1/20 0.48
AGTR2 P50052 1/20 0.48
CNR2 P34972 1/20 0.48

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
SCHEMBL2097508 0.91 TP53 (0.53) DRD2TBXA2RTP53MAPTPOLB
SCHEMBL2161533 0.88 KDM4E (0.68) KDM4ETP53MAPTPOLBLMNA
SCHEMBL3149852 0.82 TBXA2R (0.48) KDM4ETBXA2RTP53MAPTPOLB
SCHEMBL23997462 0.81 DRD2 (0.75) DRD2TBXA2RTP53MAPTLMNA
SCHEMBL30336823 0.81 DRD2 (0.75) DRD2TBXA2RTP53MAPTLMNA
SCHEMBL8025911 0.80 KDM4E (0.70) KDM4EDRD2TBXA2RPPARG
SCHEMBL22955656 0.80 DRD2 (0.51) KDM4EDRD2TBXA2RTP53MAPT
SCHEMBL4532827 0.77 PPARG (0.68) KDM4EDRD2TBXA2RMAPTPPARG
SCHEMBL2162428 0.77 AGTR1 (0.56) KDM4ETBXA2RTP53LMNAPPARG
SCHEMBL19987318 0.77 KDM4E (0.68) KDM4EMAPTPPARGCNR2

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-8163774-B2 Antidiabetic agents; 2-(amino-substituted piperidin-1-yl)benzimidazoles; N-(4-Chlorobenzyl)-2-(3-aminopiperidin-1-yl)-1-(4-fluorobenzyl)-1H-benzimidazole-6-carboxamide hydrochloride for example; use in combination with other antidiabetic, antilipemic agents SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-20080090868-A1 AMIDE-SUBSTITUTED 8 N BENZIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS SANOFI-AVENTIS (FR) 2008-04-17 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-20080090868-A1 AMIDE-SUBSTITUTED 8 N BENZIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS DPP8, GPR119, ABAT KDM4E 753/4885DRD2 2097/4885TBXA2R 411/4885

“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.