SCHEMBL11949001

SCHEMBL11949001

CCN(CC)c1cc2[nH]c(-c3ccc(C)cc3)nc2cc1NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.52
▸ MMP9 P14780 4/20 0.52
▸ MMP8 P22894 4/20 0.52
▸ MMP13 P45452 2/20 0.52
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ HPSE Q9Y251 1/20 0.47
▸ RAF1 P04049 1/20 0.47
▸ BRAF P15056 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3096806 0.94 RAF1 (0.49) MMP2MMP9MMP8MMP13NPC1
SCHEMBL11949011 0.86 HPSE (0.54) MMP2MMP9MMP8MMP13NPC1
SCHEMBL11948990 0.85 ACHE (0.48) MMP2MMP9MMP8MMP13HPSE
SCHEMBL11949013 0.84 HPSE (0.47) MMP2MMP9MMP8MMP13NPC1
SCHEMBL11949055 0.84 RAF1 (0.47) NPC1RAB9AKMT2ARAF1BRAF
SCHEMBL3103864 0.84 TUBB4A (0.45) MMP2MMP9MMP8MMP13NPC1
SCHEMBL11949012 0.84 MMP2 (0.64) MMP2MMP9MMP8MMP13NPC1
SCHEMBL11948995 0.83 HPSE (0.46) MMP2MMP9MMP8MMP13NPC1
SCHEMBL3097365 0.82 SMN1; SMN2 (0.46) MMP2MMP9MMP8MMP13NPC1
SCHEMBL3104076 0.82 MMP2 (0.59) MMP2MMP9MMP8MMP13NPC1

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 6 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-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 MMP2 4155/4885MMP9 4514/4885MMP8 1359/4885

“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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