SCHEMBL17457715

SCHEMBL17457715

O=C(CCN1CCNCC1)NC1Cc2cccc(C(=O)O)c2OB1O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.39
▸ ABCC1 P33527 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ KHK P50053 1/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PADI1 Q9ULC6 1/20 0.32
▸ PADI4 Q9UM07 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL16119468 1.00 SMYD3 (0.39) SMYD3ABCC1KDM1AKHKDRD2
SCHEMBL21698470 0.91 KDM1A (0.33) SMYD3ABCC1KDM1APADI1PADI4
SCHEMBL16119427 0.90 SIGMAR1 (0.38) ABCC1KHKALDH1A1KDM4E
SCHEMBL17457720 0.90 SIGMAR1 (0.38) ABCC1KHKALDH1A1KDM4E
SCHEMBL16099719 0.88 DRD4 (0.35) DRD2NAMPTDRD4LMNACYP2C19
SCHEMBL17465675 0.88 DRD4 (0.35) DRD2NAMPTDRD4LMNACYP2C19
SCHEMBL17457735 0.87 CHRM5 (0.38) ABCC1ALDH1A1POLBKMT2AKDM4E
SCHEMBL17465733 0.87 CHRM5 (0.38) ABCC1ALDH1A1POLBKMT2AKDM4E
SCHEMBL12944972 0.86 SIGMAR1 (0.40) —
SCHEMBL20053206 0.86 SMYD3 (0.38) SMYD3KDM1AKHKDRD2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970340-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2020-02-12 — — EP disclosed
US-10294248-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-05-21 — — US disclosed
US-20180273552-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2018-09-27 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20180273552-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT SMYD3 926/4885ABCC1 1651/4885KDM1A 447/4885
US-10294248-B2 Beta-lactamase inhibitors MGAM, GAA, LCT SMYD3 926/4885ABCC1 1651/4885KDM1A 447/4885
US-20160024121-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT SMYD3 926/4885ABCC1 1651/4885KDM1A 447/4885

“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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