SCHEMBL19856419

SCHEMBL19856419

O=C(O)[C@H]1CC[C@@H](NOCc2ccccc2)CN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
EPHX2 P34913 2/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
DPP4 P27487 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIA2 P42262 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL1250455 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL15309876 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL19856434 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL19732237 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL1250452 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL1250453 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL1666704 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
Hydrochloric Acid SCHEMBL16611847 0.99 ALDH1A1 (0.44) ALDH1A1GAATSHRNPC1RAB9A
Oxalic Acid SCHEMBL28413982 0.97 ALDH1A1 (0.43) ALDH1A1GAATSHRNPC1RAB9A
Oxalic Acid SCHEMBL28402896 0.97 ALDH1A1 (0.43) ALDH1A1GAATSHRNPC1RAB9A

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
CN-108778270-B Antibacterial composition and application thereof 吉林四环制药有限公司 2021-07-30 CN disclosed
CN-107531709-B Beta-lactamase inhibitor and use thereof 吉林四环制药有限公司 2020-10-23 CN disclosed
US-10167283-B2 β-lactamase inhibitors and uses thereof SUANZHU PHARMA CO., LTD. (CN) 2019-01-01 US disclosed
US-20180148448-A1 ß-LACTAMASE INHIBITORS AND USES THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2018-05-31 US disclosed
EP-3281942-A1 B-LACTAMASE INHIBITOR AND APPLICATION THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2018-02-14 EP 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-10167283-B2 β-lactamase inhibitors and uses thereof MGAM, LCT, ALPI ALDH1A1 269/4885GAA 7/4885TSHR 3985/4885
US-20180148448-A1 ß-LACTAMASE INHIBITORS AND USES THEREOF MGAM, LCT, ALPI ALDH1A1 257/4885GAA 7/4885TSHR 4028/4885

“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.