SCHEMBL19743737

SCHEMBL19743737

CC(=O)c1ccc(F)c([N+](=O)[O-])c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
S100A4 P26447 1/20 0.37
MAPT P10636 4/20 0.36
THRB P10828 2/20 0.36
TTR P02766 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL29609378 1.00 MAPK1 (0.38) MAPK1S100A4MAPTTHRBTTR
SCHEMBL28252852 0.84 ALB (0.47) MAPK1S100A4MAPTTHRBTTR
SCHEMBL18894092 0.84 MAPK1 (0.39) MAPK1MAPTTHRBRAB9AALDH1A1
SCHEMBL1559789 0.82 GPR35 (0.43) MAPK1S100A4MAPTALDH1A1KDM4E
SCHEMBL28722677 0.82 SMN1; SMN2 (0.41) MAPTALDH1A1KDM4EMEN1LMNA
SCHEMBL14702316 0.81 ALDH1A1 (0.47) MAPK1S100A4MAPTRAB9AALDH1A1
SCHEMBL4175674 0.79 KMT2A (0.40) MAPK1S100A4MAPTRAB9AALDH1A1
SCHEMBL31632536 0.79 ALDH1A1 (0.44) MAPK1S100A4MAPTTHRBALDH1A1
SCHEMBL103726 0.79 S100A4 (0.45) MAPK1S100A4TTRALDH1A1TSHR
SCHEMBL29833734 0.79 S100A4 (0.45) MAPK1S100A4TTRALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220930-A2 MAPT-MODULATING COMPOSITIONS AND METHODS OF USE THEREOF ADARX PHARMACEUTICALS, INC. (US) 2024-10-24 WO disclosed
WO-2023154896-A2 TRKB LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2023-08-17 WO 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-20210122761-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC. (CN) 2021-04-29 US 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
EP-3653613-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF Guangzhou Bebetter Medicine Technology Co., Ltd. (CN) 2020-05-20 EP 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 (4 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 MAPK1 1143/4885S100A4 3597/4885MAPT 4773/4885
US-20210122761-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF PPARA, FABP1, PPARG MAPK1 1319/4885S100A4 3695/4885MAPT 1460/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 MAPK1 1143/4885S100A4 3597/4885MAPT 4773/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 MAPK1 1282/4885S100A4 3399/4885MAPT 4746/4885

“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.