SCHEMBL2645801

SCHEMBL2645801

CC(C)(C)OC(=O)N1CCCC1c1cc([N+](=O)[O-])c(N)cc1Oc1ccc(-c2ccccc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.43
▸ UCHL1 P09936 4/20 0.39
▸ GCK P35557 4/20 0.38
▸ MCHR1 Q99705 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ USP30 Q70CQ3 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2646419 0.90 BTK (0.42) BTKUCHL1GCKMCHR1LMNA
SCHEMBL2645884 0.81 MEN1 (0.44) BTKUCHL1LMNATSHRUSP30
SCHEMBL2645042 0.73 GCK (0.47) GCKMEN1KMT2A
SCHEMBL2645785 0.73 GCK (0.48) GCKMEN1KMT2A
SCHEMBL2645937 0.71 GCK (0.43) GCKLMNAKMT2A
SCHEMBL19174905 0.69 RIPK1 (0.46) UCHL1LMNATSHRMEN1KMT2A
SCHEMBL28525767 0.69 RIPK1 (0.46) UCHL1LMNATSHRMEN1KMT2A
SCHEMBL2697527 0.69 MAPT (0.43) GCKLMNAMEN1KMT2ACYP1A2
SCHEMBL2697523 0.69 MAPT (0.43) GCKLMNAMEN1KMT2ACYP1A2
SCHEMBL29746968 0.68 UCHL1 (0.47) UCHL1LMNATSHRUSP30MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 — — EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 — — US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 — — US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 — — EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 BTK 2282/4885UCHL1 1429/4885GCK 1/4885

“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.

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