SCHEMBL20116653

SCHEMBL20116653

CCOc1ccc(-c2noc(=O)[nH]2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
SMN1; SMN2 Q16637 1/20 0.54
MAPK1 P28482 1/20 0.52
MAPT P10636 4/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
S1PR1 P21453 4/20 0.44
S1PR3 Q99500 2/20 0.44
PLA2G2A P14555 6/20 0.44
PLA2G10 O15496 1/20 0.44
PLA2G1B P04054 1/20 0.44
PLA2G5 P39877 1/20 0.44
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL20116595 0.89 ALDH1A1 (0.52) ALDH1A1MAPK1MAPTHSD17B10KDM4E
SCHEMBL30506227 0.89 ALDH1A1 (0.52) ALDH1A1MAPK1MAPTHSD17B10KDM4E
SCHEMBL22067719 0.81 ALDH1A1 (0.50) ALDH1A1S1PR1S1PR3
SCHEMBL31589981 0.76 CHEK1 (0.46) ALDH1A1SMN1; SMN2MAPK1NPC1HSD17B10
SCHEMBL26362654 0.73 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EPLA2G2A
SCHEMBL23033986 0.73 ALDH1A1 (0.51) ALDH1A1PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL21939312 0.72 ALDH1A1 (0.57) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL25432292 0.72 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2NPC1KDM4EPLA2G2A
SCHEMBL21939159 0.72 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL22273361 0.72 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EPLA2G2A

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 656/4885SMN1; SMN2 13/4885MAPK1 4304/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885SMN1; SMN2 13/4885MAPK1 4304/4885

“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.