SCHEMBL493444

SCHEMBL493444

COc1ccc(-c2ncon2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.55
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 4/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 8/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 3/20 0.48
NPC1 O15118 6/20 0.48
KDM4E B2RXH2 5/20 0.47
RAB9A P51151 5/20 0.47
HSD17B10 Q99714 4/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PDGFRB P09619 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
SCHEMBL30850515 1.00 PDE4A (0.55) PDE4AALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL23864913 0.83 S1PR1 (0.50) PDE4AMAPTKDM4ENPSR1TP53
SCHEMBL16935874 0.82 ALDH1A1 (0.49) ALDH1A1MAPK1HPGDSMN1; SMN2MAPT
SCHEMBL7262719 0.78 CLK4 (0.55) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL24921190 0.76 S1PR1 (0.49)
SCHEMBL15013632 0.76 DYRK1A (0.62) ALDH1A1MAPK1HPGDSMN1; SMN2MAPT
SCHEMBL14951245 0.75 ACHE (0.44) ALDH1A1MAPK1HPGDSMN1; SMN2HTT
SCHEMBL2546683 0.74 S1PR1 (0.41) PDGFRBPDGFRA
SCHEMBL7616076 0.74 ALDH1A1 (0.58) PDE4AALDH1A1MAPK1HPGDSMN1; SMN2
SCHEMBL15014651 0.74 CYP1B1 (0.47) ALDH1A1HPGDSMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3700934-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2020-09-02 EP disclosed
CN-110099898-A compound and use thereof 优曼尼蒂治疗公司 2019-08-06 CN disclosed
WO-2013083991-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL INNOVATIONS LIMITED (GB) 2013-06-13 WO disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 (1 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD PDE4A 1313/4885ALDH1A1 1349/4885MAPK1 3395/4885

“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.