SCHEMBL3110175

SCHEMBL3110175

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 5/20 0.41
▸ TP53 P04637 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ MMP2 P08253 3/20 0.41
▸ MMP9 P14780 3/20 0.41
▸ MMP8 P22894 3/20 0.41
▸ MMP13 P45452 2/20 0.41

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
SCHEMBL3109194 0.93 TUBB4A (0.47) KDM4EALDH1A1HPGDTP53MAPT
SCHEMBL11948995 0.92 HPSE (0.46) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL3103864 0.89 TUBB4A (0.45) KDM4EALDH1A1HPGDTP53MAPT
SCHEMBL3097365 0.88 SMN1; SMN2 (0.46) KDM4EALDH1A1HPGDTP53MAPT
SCHEMBL3096806 0.85 RAF1 (0.49) KDM4EALDH1A1HPGDTP53MAPT
SCHEMBL11949013 0.84 HPSE (0.47) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL11949047 0.83 TUBB4A (0.46) CHEK2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11949003 0.82 HDAC6 (0.47) TP53MAPTSMN1; SMN2LMNAMMP2
SCHEMBL14046897 0.81 TUBB4A (0.45) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL11949027 0.80 NR4A2 (0.46) CHEK2TUBB4ATUBBTUBA3CTUBA1B

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 KDM4E 2675/4885ALDH1A1 405/4885HPGD 2508/4885

“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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