SCHEMBL19744064

SCHEMBL19744064

CCOC(=O)c1cc(=O)c2cc(F)cc([N+](=O)[O-])c2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.55
AKR1B1 P15121 1/20 0.47
MAOB P27338 2/20 0.46
LMNA P02545 2/20 0.43
SLC2A1 P11166 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 2/20 0.39
POLB P06746 2/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
CCR6 P51684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.39
USP10 Q14694 1/20 0.39

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
SCHEMBL7628858 0.86 AKR1B1 (0.47) GPR35AKR1B1MAOBLMNASLC2A1
SCHEMBL29540395 0.84 GPR35 (0.60) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL19744146 0.84 GPR35 (0.60) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL4249992 0.83 GPR35 (0.67) GPR35AKR1B1MAOBLMNASLC2A1
SCHEMBL4983007 0.81 GPR35 (0.58) GPR35AKR1B1MAOBSLC2A1MAPT
SCHEMBL19743716 0.81 GPR35 (0.58) GPR35AKR1B1MAOBSLC2A1MAPT
SCHEMBL8317257 0.81 AKR1B1 (0.53) GPR35AKR1B1MAOBLMNASLC2A1
SCHEMBL19744109 0.80 MAOB (0.54) GPR35AKR1B1MAOBLMNASLC2A1
SCHEMBL5730411 0.76 AKR1B1 (0.56) GPR35AKR1B1MAOBLMNASLC2A1
SCHEMBL4990430 0.75 HTR1B (0.57) GPR35AKR1B1MAOBSLC2A1KMT2A

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 9 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-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
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 GPR35 3114/4885AKR1B1 2303/4885MAOB 2696/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 GPR35 3114/4885AKR1B1 2303/4885MAOB 2696/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 GPR35 3007/4885AKR1B1 2338/4885MAOB 2283/4885

“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.