SCHEMBL11949030

SCHEMBL11949030

CCN(CC)c1cc2[nH]c(-c3ccc(OC)cc3)nc2cc1NC(=O)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NR2E3 Q9Y5X4 1/20 0.47
▸ CHEK2 O96017 4/20 0.46
▸ PRSS12 P56730 1/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ TP53 P04637 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
SCHEMBL11949040 0.99 ADORA3 (0.49) ADORA3HTTNPSR1NR2E3CHEK2
SCHEMBL11949025 0.96 CHEK2 (0.48) HTTNR2E3CHEK2PRSS12SLC2A1
SCHEMBL11949008 0.90 HTT (0.49) HTTNPSR1NR2E3CHEK2KDR
SCHEMBL11949043 0.89 HTT (0.48) HTTNPSR1NR2E3CHEK2KDM4E
SCHEMBL11956754 0.89 KDM4E (0.48) HTTNPSR1NR2E3CHEK2PRSS12
SCHEMBL3092628 0.89 KDM4E (0.52) ADORA3HTTNPSR1NR2E3KDM4E
SCHEMBL11949035 0.88 KDM4E (0.48) HTTNPSR1NR2E3CHEK2KDM4E
SCHEMBL15275497 0.88 NR2E3 (0.49) HTTNPSR1NR2E3CHEK2KDR
SCHEMBL15275494 0.87 NR2E3 (0.48) HTTNPSR1NR2E3CHEK2KDM4E
SCHEMBL11949019 0.85 SLC2A1 (0.52) HTTCHEK2PRSS12SLC2A1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232410-B2 Benzimidazoles and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-07-31 — — US disclosed
US-8232410-B2 Benzimidazoles and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-07-31 — — US disclosed
US-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-10-07 — — US disclosed
US-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-10-07 — — US disclosed
WO-2008130669-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-10-30 — — WO 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-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF TBCD, TBC1D5, CFTR ADORA3 2198/4885HTT 3620/4885NPSR1 4614/4885

“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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