SCHEMBL6474847

SCHEMBL6474847

COc1ccc([N+](=O)[O-])c(NCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.58
MAPT P10636 8/20 0.57
CYP1A2 P05177 3/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
AKR1B10 O60218 1/20 0.57
AKR1B1 P15121 1/20 0.57
AKR1C4 P17516 1/20 0.57
AKR1C3 P42330 1/20 0.57
AKR1C2 P52895 1/20 0.57
AKR1C1 Q04828 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57
APP P05067 1/20 0.55
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
CRHBP P24387 4/20 0.53
CRHR2 Q13324 4/20 0.53
HTT P42858 3/20 0.53

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
SCHEMBL4309629 0.92 MAPT (0.62) MAPTAKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL2130528 0.89 MAPT (0.60) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16407609 0.87 NPC1 (0.53) MAPTAKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL13186987 0.87 MAPT (0.61) HTR6MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9698418 0.87 HTR6 (0.58) HTR6MAPTAKR1B10AKR1B1AKR1C4
SCHEMBL29411890 0.86 AKR1B10 (0.54) HTR6MAPTCYP1A2CYP2C9AKR1B10
SCHEMBL16407598 0.85 SMN1; SMN2 (0.62) HTR6MAPTNPSR1HTTALDH1A1
SCHEMBL7318993 0.83 MAPT (0.68) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL23144814 0.83 MAPT (0.60) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14407558 0.83 MAPT (0.58) MAPTMEN1KMT2ACRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276303-B Ureido compounds or pharmaceutically acceptable salts thereof, and preparation method and application thereof 河南大学 2023-09-22 CN disclosed
CN-114276303-A Ureido compound or its medicinal salt and its preparing process and application 河南大学 2022-04-05 CN disclosed
CN-114230529-A Tetrahydroquinoxaline sulfonamide derivative and preparation method and application thereof 河南大学 2022-03-25 CN disclosed
CN-111704579-B Benzimidazole compound synthesis method based on iron-catalyzed redox coupling reaction 中国农业大学 2021-12-14 CN disclosed
CN-111704579-A Benzimidazole compound synthesis method based on iron-catalyzed redox coupling reaction 中国农业大学 2020-09-25 CN disclosed
US-6855714-B2 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-15 US disclosed
EP-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 EP disclosed
US-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2003-03-20 US disclosed
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 WO disclosed
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 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-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives ARG2, MSR1, ARG1 HTR6 972/4885MAPT 1593/4885CYP1A2 113/4885

“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.