SCHEMBL11949033

SCHEMBL11949033

CCN(CC)c1cc2[nH]c(-c3ccc(OC)cc3)nc2cc1NC(=O)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRSS12 P56730 1/20 0.57
▸ CHEK2 O96017 8/20 0.54
▸ MMP2 P08253 2/20 0.50
▸ MMP9 P14780 2/20 0.50
▸ MMP8 P22894 2/20 0.50
▸ MMP13 P45452 2/20 0.50
▸ COMT P21964 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HPSE Q9Y251 1/20 0.48
▸ SLC2A1 P11166 1/20 0.47

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
SCHEMBL11949020 0.96 PRSS12 (0.61) PRSS12CHEK2COMTMAPTHDAC6
SCHEMBL11948988 0.93 MMP2 (0.56) PRSS12CHEK2MMP2MMP9MMP8
SCHEMBL11949024 0.92 PRSS12 (0.56) PRSS12CHEK2MMP2MMP9MMP8
SCHEMBL11956441 0.92 PRSS12 (0.56) PRSS12CHEK2COMTMAPTHDAC6
SCHEMBL11949029 0.92 PRSS12 (0.56) PRSS12CHEK2COMTMAPTHDAC6
SCHEMBL11949041 0.92 PRSS12 (0.56) PRSS12CHEK2COMTMAPTHDAC6
SCHEMBL11949023 0.92 PRSS12 (0.61) PRSS12CHEK2COMTHDAC6
SCHEMBL11949022 0.91 PRSS12 (0.58) PRSS12CHEK2MMP2MMP9MMP8
SCHEMBL3104223 0.91 PRSS12 (0.58) PRSS12CHEK2MMP2MMP9MMP8
SCHEMBL11949000 0.89 HPSE (0.53) CHEK2MMP2MMP9MMP8MMP13

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2766/4885CHEK2 3766/4885MMP2 4155/4885

“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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