SCHEMBL23407705

SCHEMBL23407705

Cc1cc(-c2c(-c3ccc4c(c3)OCCCO4)nc3ncccn23)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 11/20 0.51
MAPT P10636 10/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAPK1 P28482 4/20 0.46
MEN1 O00255 2/20 0.46
ALOX15 P16050 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ROCK2 O75116 1/20 0.42
PIM1 P11309 1/20 0.42
GSK3B P49841 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
SCHEMBL29620824 1.00 RAB9A (0.54) RAB9AKDM4EGAAMAPTTDP1
SCHEMBL23407593 0.96 RAB9A (0.56) RAB9AKDM4EGAAMAPTTDP1
SCHEMBL29620822 0.96 RAB9A (0.56) RAB9AKDM4EGAAMAPTTDP1
SCHEMBL23407673 0.92 KDM4E (0.65) RAB9AKDM4EGAAMAPTTDP1
SCHEMBL22394736 0.88 KDM4E (0.44) RAB9AKDM4EGAAMAPTTDP1
SCHEMBL30527094 0.88 KDM4E (0.44) RAB9AKDM4EGAAMAPTTDP1
SCHEMBL23407550 0.87 RAB9A (0.46) RAB9AKDM4EGAAMAPTTDP1
SCHEMBL29620791 0.87 RAB9A (0.46) RAB9AKDM4EGAAMAPTTDP1
SCHEMBL22394794 0.85 KDM4E (0.44) RAB9AKDM4EGAAMAPTTDP1
SCHEMBL22394712 0.85 KDM4E (0.44) RAB9AKDM4EGAAMAPTTDP1

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-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 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 (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-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 RAB9A 802/4885KDM4E 4533/4885GAA 60/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 RAB9A 802/4885KDM4E 4533/4885GAA 60/4885

“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.