SCHEMBL21060930

SCHEMBL21060930

COC(=O)c1[nH]cc(C(=O)CCl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 2/20 0.44
MITF O75030 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR4A2 P43354 8/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
MAP3K7 O43318 1/20 0.39
TAB1 Q15750 1/20 0.39
CREBBP Q92793 1/20 0.37
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
GSK3B P49841 2/20 0.35
MAP2K1 Q02750 1/20 0.35
PYGL P06737 1/20 0.35
GRM1 Q13255 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
SCHEMBL3028817 0.81 NR4A2 (0.43) NPSR1NR4A2CREBBPMAP2K1
SCHEMBL3030002 0.81 NR4A2 (0.43) NR4A2CREBBPMAP2K1
SCHEMBL3033301 0.80 NR4A2 (0.42) NR4A2ALDH1A1CREBBPMAP2K1
SCHEMBL21060956 0.80 MEN1 (0.40) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL21060967 0.80 MEN1 (0.40) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL21060981 0.80 MEN1 (0.40) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL21060934 0.80 MEN1 (0.40) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL21060977 0.80 MEN1 (0.40) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL21060987 0.80 MEN1 (0.40) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL3032676 0.79 PYGL (0.42) LMNAMAPTNR4A2ALDH1A1HTT

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-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL SA (ES) 2021-07-22 US disclosed
CN-111886230-A Pyrrole derivatives as ACC inhibitors 阿尔米雷尔有限公司 2020-11-03 CN disclosed
EP-3724182-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS Almirall S.A. (ES) 2020-10-21 EP disclosed
WO-2019115405-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2019-06-20 WO 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-20210220328-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ACACA, ACACB, PCCA LMNA 4141/4885MAPT 1394/4885RAB9A 3627/4885

“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.