SCHEMBL18919802

SCHEMBL18919802

Nc1ccccc1CCOc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
KMT2A Q03164 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RECQL P46063 1/20 0.47
LTA4H P09960 2/20 0.46
PLA2G2A P14555 1/20 0.46
HTR1B P28222 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
Ammonia Solution, Strong SCHEMBL21810409 0.80 ALDH1A1 (0.50) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL8009488 0.80 KCNA3 (0.52) KCNA3TAAR1NPC1RAB9AALDH1A1
SCHEMBL23456171 0.79 F2 (0.52) KCNA3TAAR1NPC1RAB9AKDM4E
SCHEMBL9850277 0.79 SMN1; SMN2 (0.41) TAAR1NPC1RAB9AALDH1A1KDM4E
SCHEMBL27762001 0.78 SIRT2 (0.42) TAAR1NPC1RAB9AALDH1A1LTA4H
SCHEMBL11705264 0.76 HRH1 (0.56) KCNA3TAAR1NPC1RAB9AALDH1A1
SCHEMBL28301170 0.76 KCNA3 (0.52) KCNA3TAAR1NPC1RAB9AALDH1A1
SCHEMBL9854724 0.76 KCNA3 (0.52) KCNA3TAAR1NPC1RAB9AALDH1A1
SCHEMBL6870366 0.76 KCNA3 (0.52) KCNA3TAAR1NPC1RAB9AALDH1A1
SCHEMBL20541672 0.75 ALDH1A1 (0.47) KCNA3TAAR1NPC1RAB9AALDH1A1

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-11439622-B2 Inhibitors of metallo-beta-lactamases OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2022-09-13 US disclosed
CN-108602795-B Inhibitors of metallo-beta-lactamases 牛津大学科技创新有限公司 2022-04-22 CN disclosed
US-20200375946-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2020-12-03 US disclosed
US-20200375946-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2020-12-03 US disclosed
EP-3383858-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2018-10-10 EP disclosed
WO-2017093727-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-06-08 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-11439622-B2 Inhibitors of metallo-beta-lactamases IDO1, MGAM, LCT KCNA3 3045/4885TAAR1 3926/4885NPC1 3093/4885
US-20200375946-A1 INHIBITORS OF METALLO-BETA-LACTAMASES IDO1, MGAM, LCT KCNA3 3045/4885TAAR1 3926/4885NPC1 3093/4885

“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.