SCHEMBL2097508

SCHEMBL2097508

COC(=O)c1ccc2nc(Cl)n(Cc3ccc(F)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
POLB P06746 1/20 0.53
DRD2 P14416 9/20 0.52
TBXA2R P21731 8/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
P2RX3 P56373 1/20 0.48
AGTR1 P30556 1/20 0.48
AGTR2 P50052 1/20 0.48
ATM Q13315 1/20 0.47
ACSS2 Q9NR19 1/20 0.47
CFTR P13569 1/20 0.45

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
SCHEMBL2100541 0.91 KDM4E (0.55) TP53POLBDRD2TBXA2RMAPT
SCHEMBL3140520 0.82 LMNA (0.42) TP53POLBTBXA2RMAPTLMNA
SCHEMBL23997462 0.81 DRD2 (0.75) TP53DRD2TBXA2RMAPTLMNA
SCHEMBL30336823 0.81 DRD2 (0.75) TP53DRD2TBXA2RMAPTLMNA
SCHEMBL22955655 0.80 DRD2 (0.51) TP53POLBDRD2TBXA2RMAPT
SCHEMBL2161533 0.79 KDM4E (0.68) TP53POLBMAPTLMNA
SCHEMBL8285684 0.76 MAPT (0.48) POLBMAPTLMNAAGTR1AGTR2
SCHEMBL9198766 0.76 AGTR1 (0.79) DRD2TBXA2RAGTR1AGTR2
SCHEMBL30020641 0.76 ACSS2 (0.47) DRD2TBXA2RACSS2
SCHEMBL24900035 0.76 ACSS2 (0.47) DRD2TBXA2RACSS2

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 TP53 4107/4885POLB 4330/4885DRD2 2097/4885

“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.