SCHEMBL21753326

SCHEMBL21753326

ClCc1ccc(-n2cc(Br)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
PKM P14618 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
DRD4 P21917 7/20 0.37
HTR2C P28335 4/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
PRKCI P41743 1/20 0.35
GAA P10253 1/20 0.34
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33

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
SCHEMBL20300459 0.84 KMT2A (0.44) KMT2APKMMEN1TSHRMAPK1
SCHEMBL23612174 0.82 KMT2A (0.43) KMT2APKMMEN1TSHRMAPK1
SCHEMBL21753234 0.82 KMT2A (0.47) KMT2APKMMEN1TSHRMAPK1
SCHEMBL19510863 0.82 DRD4 (0.40) KMT2APKMMEN1ALDH1A1LMNA
SCHEMBL182108 0.79 MEN1 (0.47) KMT2APKMMEN1ALDH1A1KDM4E
SCHEMBL11486434 0.78 KMT2A (0.41) KMT2APKMMEN1TSHRMAPK1
SCHEMBL24214691 0.78 KMT2A (0.41) KMT2APKMMEN1TSHRMAPK1
SCHEMBL11492464 0.77 MEN1 (0.49) KMT2APKMMEN1TSHRALDH1A1
SCHEMBL30767581 0.76 EPHX2 (0.41) MAPK1
SCHEMBL19510767 0.76 DRD4 (0.38) KMT2APKMMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 US disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 US disclosed
WO-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed
WO-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 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 (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-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP KMT2A 2017/4885PKM 925/4885MEN1 4229/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP KMT2A 1784/4885PKM 789/4885MEN1 4030/4885

“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.