SCHEMBL16163683

SCHEMBL16163683

CCN(CC)C(=O)c1[nH]c(C(=O)N(CC)CC)c(O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.43
▸ RECQL P46063 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ HSP90AA1 P07900 7/20 0.39
▸ HSP90AB1 P08238 7/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ HPGD P15428 5/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MLYCD O95822 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL22058628 0.72 TSHR (0.54) LMNATSHRMMP1MMP2MMP3
SCHEMBL16164002 0.68 HPGD (0.46) LMNAHSP90AA1HSP90AB1HPGDALDH1A1
SCHEMBL21331151 0.64 ALDH1A1 (0.56) TSHRHPGDALDH1A1MAPTKMT2A
SCHEMBL17264206 0.64 LMNA (0.61) LMNARECQLHSP90AA1HSP90AB1HPGD
SCHEMBL5703500 0.64 HPGD (0.73) LMNAHSP90AA1HSP90AB1HPGDALDH1A1
SCHEMBL2045811 0.64 MMP1 (0.42) LMNARECQLHSP90AA1HSP90AB1MMP1
SCHEMBL1806308 0.62 HPGD (0.63) LMNAHSP90AA1HSP90AB1HPGDALDH1A1
SCHEMBL6001785 0.62 LMNA (0.59) LMNARECQLHSP90AA1HSP90AB1HPGD
SCHEMBL2457167 0.61 JAK2 (0.37) LMNAHPGDALDH1A1MAPTTDP1
SCHEMBL29822323 0.60 TP53 (0.69) LMNATSHRHSP90AA1HSP90AB1HPGD

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-20140309193-A1 NOVEL PYRROLE DERIVATIVES UNIVERSITY OF LEICESTER (GB) 2014-10-16 — — US claimed
US-20160046576-A1 NOVEL PYRROLE DERIVATIVES UNIV LEICESTER (GB) 2016-02-18 — — 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 (2 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-20160046576-A1 NOVEL PYRROLE DERIVATIVES PYCR1, ARG1, PNISR LMNA 3155/4885RECQL 115/4885TSHR 598/4885
US-20140309193-A1 NOVEL PYRROLE DERIVATIVES PYCR1, ARG1, PNISR LMNA 3155/4885RECQL 115/4885TSHR 598/4885

“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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