SCHEMBL11956753

SCHEMBL11956753

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ GAA P10253 1/20 0.49
▸ SCD O00767 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ BAZ1A Q9NRL2 1/20 0.46
▸ HPSE Q9Y251 2/20 0.46
▸ NPBWR1 P48145 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CHEK2 O96017 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL11949034 0.90 NR4A2 (0.51) ALDH1A1HPGDKDM4ETP53HSD17B10
SCHEMBL11949019 0.88 SLC2A1 (0.52) ALDH1A1HPGDKDM4ETP53HSD17B10
SCHEMBL11956752 0.86 MMP2 (0.56) HPSECHEK2HDAC3HDAC1HDAC8
SCHEMBL11956754 0.84 KDM4E (0.48) ALDH1A1HPGDKDM4ETP53KMT2A
SCHEMBL11949011 0.80 HPSE (0.54) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL11948988 0.80 MMP2 (0.56) HPSECHEK2HDAC3HDAC1HDAC8
SCHEMBL14046889 0.80 THRB (0.50) ALDH1A1HPGDKDM4ETP53HSD17B10
SCHEMBL11949014 0.79 EGFR (0.53) ALDH1A1HPGDKDM4EKMT2APOLB
SCHEMBL11949039 0.79 NR4A2 (0.55) CHEK2HDAC3HDAC1HDAC8HDAC6
SCHEMBL3098570 0.79 MMP2 (0.57) KDM4EMEN1KMT2APOLBHPSE

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

“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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