SCHEMBL20116595

SCHEMBL20116595

COc1ccc(-c2noc(=O)[nH]2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
GUSB P08236 1/20 0.50
KDM4E B2RXH2 3/20 0.48
GAA P10253 1/20 0.48
MPI P34949 1/20 0.48
GFER P55789 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 1/20 0.47
PDE4A P27815 3/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
RARB P10826 2/20 0.46
ALOX5 P09917 1/20 0.46
EPHX2 P34913 1/20 0.46
RARG P13631 1/20 0.45

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
SCHEMBL30506227 1.00 ALDH1A1 (0.52) ALDH1A1GUSBKDM4EGAAMPI
SCHEMBL20116653 0.89 ALDH1A1 (0.63) ALDH1A1KDM4EMAPK1HSD17B10MAPT
SCHEMBL22067719 0.88 ALDH1A1 (0.50) ALDH1A1RARBRARG
SCHEMBL31589981 0.83 CHEK1 (0.46) ALDH1A1KDM4EGAAMAPK1HSD17B10
SCHEMBL25432292 0.79 ALDH1A1 (0.69) ALDH1A1GUSBKDM4ERARBRARG
SCHEMBL31546428 0.77 NOTUM (0.54) ALDH1A1GAATDP1
SCHEMBL10214729 0.76 ALDH1A1 (0.53) ALDH1A1RARBRARG
SCHEMBL25439413 0.74 ALDH1A1 (0.55) ALDH1A1RARB
SCHEMBL31546460 0.73 FGFR1 (0.47) ALDH1A1GAA
SCHEMBL2963261 0.73 ALDH1A1 (0.61) ALDH1A1RARBALOX5RARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
EP-3700934-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2020-09-02 EP disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A1 656/4885GUSB 994/4885KDM4E 2853/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885GUSB 994/4885KDM4E 2853/4885

“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.