SCHEMBL3103864

SCHEMBL3103864

CCCOC(=O)Nc1cc2nc(-c3ccccc3)[nH]c2cc1N(CC)CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45
▸ TUBA3E Q6PEY2 1/20 0.45
▸ TUBA1A Q71U36 1/20 0.45
▸ TUBA1C Q9BQE3 1/20 0.45
▸ TUBB6 Q9BUF5 1/20 0.45
▸ TUBB2B Q9BVA1 1/20 0.45
▸ TUBB1 Q9H4B7 1/20 0.45
▸ MAPT P10636 5/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ ALDH1A1 P00352 4/20 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
SCHEMBL3097365 0.94 SMN1; SMN2 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11949027 0.90 NR4A2 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3110175 0.89 KDM4E (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3096806 0.89 RAF1 (0.49) MAPTSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL3109194 0.87 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11949048 0.85 ABL1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11948990 0.85 ACHE (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3096830 0.84 MMP2 (0.49) MAPTSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL11949001 0.84 MMP2 (0.52) MAPTSMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL3098570 0.83 MMP2 (0.57) MAPTKDM4ENPC1RAB9APOLB

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
EP-2154966-B1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2013-08-21 — — EP 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
EP-2154966-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF The Research Foundation Of State University Of New York (US) 2010-02-24 — — EP 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 TUBB4A 679/4885TUBB 227/4885TUBA3C 210/4885

“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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