SCHEMBL19743717

SCHEMBL19743717

NC(=O)c1cc(=O)c2cccc(O)c2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.57
GPR35 Q9HC97 8/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOA P21397 5/20 0.45
EGFR P00533 1/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
CSNK2A2 P19784 1/20 0.45
PTGS1 P23219 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
LCK P06239 1/20 0.44
ATP1A1 P05023 2/20 0.44
ATP1B1 P05026 2/20 0.44
ATP1A3 P13637 2/20 0.44
ATP1B2 P14415 2/20 0.44
ATP1A2 P50993 2/20 0.44
ATP1B3 P54709 2/20 0.44

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
SCHEMBL5559163 0.85 GPR35 (0.62) LOXL2GPR35KDM4EUSP2CSNK2A2
SCHEMBL28290283 0.84 GPR35 (0.47) LOXL2GPR35ALDH1A1KMT2AKDM4E
SCHEMBL10358942 0.84 GPR35 (0.61) LOXL2GPR35KDM4EUSP2CSNK2A2
SCHEMBL8122752 0.83 LOXL2 (0.56) LOXL2GPR35ALDH1A1KMT2AKDM4E
SCHEMBL8107475 0.83 GPR35 (0.48) GPR35ALDH1A1KMT2AKDM4EUSP2
SCHEMBL8121513 0.80 GPR35 (0.49) LOXL2GPR35ALDH1A1KMT2AKDM4E
SCHEMBL10509414 0.80 ALDH1A1 (0.64) ALDH1A1KMT2AMAOALCKMAOB
SCHEMBL8827815 0.79 ALDH1A1 (0.68) GPR35ALDH1A1KMT2AMAOAKDM4E
SCHEMBL30987790 0.78 KDM4E (0.60) ALDH1A1KMT2AKDM4ECSNK2A2CSNK2B
SCHEMBL7628829 0.78 GPR35 (0.78) GPR35ALDH1A1KMT2AMAOAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641864-B Anti-infective agents 邓迪大学 2023-04-04 CN disclosed
US-11485720-B2 Anti-infective agents UNIVERSITY OF DUNDEE (GB) 2022-11-01 US disclosed
EP-3472141-B1 ANTI-INFECTIVE AGENTS UNIV DUNDEE (GB) 2022-10-05 EP disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 US disclosed
EP-3472141-A1 ANTI-INFECTIVE AGENTS University Of Dundee (GB) 2019-04-24 EP disclosed
WO-2017221002-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2017-12-28 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 (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-11485720-B2 Anti-infective agents C1R, RRS1, ARG1 LOXL2 4319/4885GPR35 3114/4885ALDH1A1 3749/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 LOXL2 4319/4885GPR35 3114/4885ALDH1A1 3749/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 LOXL2 4153/4885GPR35 3007/4885ALDH1A1 3685/4885

“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.