SCHEMBL3104223

SCHEMBL3104223

CCN(CC)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS12 P56730 1/20 0.58
▸ COMT P21964 1/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ CHEK2 O96017 6/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.51
▸ MAPT P10636 5/20 0.49
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP8 P22894 1/20 0.48

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
SCHEMBL11949022 0.96 PRSS12 (0.58) PRSS12COMTSMN1; SMN2TP53KDM4E
SCHEMBL11949020 0.95 PRSS12 (0.61) PRSS12COMTCHEK2HDAC6MAPT
SCHEMBL11949033 0.91 PRSS12 (0.57) PRSS12COMTCHEK2HDAC6MAPT
SCHEMBL3098570 0.91 MMP2 (0.57) PRSS12COMTKDM4ENPC1RAB9A
SCHEMBL11949041 0.91 PRSS12 (0.56) PRSS12COMTSMN1; SMN2KDM4ENPC1
SCHEMBL11949023 0.91 PRSS12 (0.61) PRSS12COMTCHEK2HDAC6
SCHEMBL11949029 0.91 PRSS12 (0.56) PRSS12COMTSMN1; SMN2KDM4ENPC1
SCHEMBL11956441 0.91 PRSS12 (0.56) PRSS12COMTCHEK2HDAC6MAPT
SCHEMBL11949024 0.91 PRSS12 (0.56) PRSS12COMTCHEK2HDAC6MAPT
SCHEMBL3104076 0.89 MMP2 (0.59) PRSS12KDM4ENPC1RAB9ACHEK2

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 PRSS12 2766/4885COMT 2839/4885SMN1; SMN2 2448/4885

“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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