SCHEMBL11956441

SCHEMBL11956441

Bc1ccc(C(=O)Nc2cc3nc(-c4ccc(OC)cc4)[nH]c3cc2N(CC)CC)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRSS12 P56730 1/20 0.56
▸ CHEK2 O96017 7/20 0.53
▸ HDAC6 Q9UBN7 4/20 0.50
▸ COMT P21964 1/20 0.48
▸ HDAC3 O15379 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ KDR P35968 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
SCHEMBL11949020 0.95 PRSS12 (0.61) PRSS12CHEK2HDAC6COMTMAPT
SCHEMBL11949033 0.92 PRSS12 (0.57) PRSS12CHEK2HDAC6COMTMAPT
SCHEMBL11949041 0.91 PRSS12 (0.56) PRSS12CHEK2HDAC6COMTMAPT
SCHEMBL11949023 0.91 PRSS12 (0.61) PRSS12CHEK2HDAC6COMTKDR
SCHEMBL11949029 0.91 PRSS12 (0.56) PRSS12CHEK2HDAC6COMTMAPT
SCHEMBL11949024 0.91 PRSS12 (0.56) PRSS12CHEK2HDAC6COMTMAPT
SCHEMBL3104223 0.91 PRSS12 (0.58) PRSS12CHEK2HDAC6COMTMAPT
SCHEMBL11949022 0.91 PRSS12 (0.58) PRSS12CHEK2COMTMAPT
SCHEMBL11957222 0.89 NR4A2 (0.50) PRSS12CHEK2HDAC6HDAC3HDAC1
SCHEMBL14046805 0.89 HDAC3 (0.52) PRSS12CHEK2HDAC6COMTHDAC3

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 2 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-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 3766/4885HDAC6 47/4885

“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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