SCHEMBL16119447

SCHEMBL16119447

CNCCNC1CCN(CC(=O)N[C@H]2Cc3cccc(C(=O)O)c3OB2O)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ CARM1 Q86X55 2/20 0.37
▸ PRMT6 Q96LA8 2/20 0.37
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPK10 P53779 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL16119461 0.91 ALDH1A1 (0.38) ALDH1A1POLBKMT2AMEN1TSHR
SCHEMBL16119469 0.91 ALDH1A1 (0.37) ALDH1A1POLBKMT2AMEN1L3MBTL1
SCHEMBL16101118 0.91 ALDH1A1 (0.37) ALDH1A1POLBKMT2AMEN1L3MBTL1
SCHEMBL16119492 0.91 ALDH1A1 (0.39) ALDH1A1POLBKMT2AMEN1TSHR
SCHEMBL16101140 0.91 ALDH1A1 (0.39) ALDH1A1POLBKMT2AMEN1TSHR
SCHEMBL16119462 0.91 ALDH1A1 (0.37) ALDH1A1POLBKMT2AMEN1TSHR
SCHEMBL16119430 0.90 ALDH1A1 (0.34) ALDH1A1CARM1PRMT6POLBKMT2A
SCHEMBL16119460 0.88 CARM1 (0.39) ALDH1A1CARM1PRMT6LMNASMN1; SMN2
SCHEMBL16119423 0.88 CARM1 (0.31) ALDH1A1CARM1PRMT6
SCHEMBL15777687 0.87 DRD2 (0.33) —

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-10294248-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-05-21 — — US disclosed
US-9944658-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2018-04-17 — — US disclosed
US-20160024121-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. 2016-01-28 — — US disclosed
WO-2014151958-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2014-09-25 — — 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-10294248-B2 Beta-lactamase inhibitors MGAM, GAA, LCT ALDH1A1 305/4885CARM1 2201/4885PRMT6 446/4885
US-20160024121-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ALDH1A1 305/4885CARM1 2201/4885PRMT6 446/4885

“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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