SCHEMBL3097365

SCHEMBL3097365

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ NFKB1 P19838 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NFKB2 Q00653 3/20 0.46
▸ RELA Q04206 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44

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
SCHEMBL3103864 0.94 TUBB4A (0.45) SMN1; SMN2ALDH1A1NPC1NFKB1RAB9A
SCHEMBL11948990 0.91 ACHE (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11949002 0.89 HDAC6 (0.48) SMN1; SMN2ALDH1A1KDM4EHPGDTP53
SCHEMBL14046892 0.88 TUBB4A (0.42) SMN1; SMN2ALDH1A1NPC1NFKB1RAB9A
SCHEMBL3110175 0.88 KDM4E (0.41) SMN1; SMN2ALDH1A1NPC1NFKB1RAB9A
SCHEMBL3096806 0.87 RAF1 (0.49) SMN1; SMN2ALDH1A1NPC1NFKB1RAB9A
SCHEMBL11949052 0.86 KDM4E (0.49) SMN1; SMN2ALDH1A1NPC1NFKB1RAB9A
SCHEMBL3109194 0.85 TUBB4A (0.47) SMN1; SMN2ALDH1A1NPC1NFKB1RAB9A
SCHEMBL11949004 0.85 MMP2 (0.48) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL11949027 0.84 NR4A2 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 3 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

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 SMN1; SMN2 2448/4885ALDH1A1 405/4885NPC1 347/4885

“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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