SCHEMBL22204501

SCHEMBL22204501

COc1cc(OC)c(Cl)c(OCc2cc(-c3ccccc3[N+](=O)[O-])[nH]n2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MAPT P10636 6/20 0.47
HPGD P15428 5/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
MEN1 O00255 4/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.43
ALPL P05186 2/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
FGFR4 P22455 2/20 0.37
PIN1 Q13526 1/20 0.36
AMY1A P0DUB6 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHEK1 O14757 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL29867683 1.00 KMT2A (0.47) KMT2AMAPTHPGDGAAGFER
SCHEMBL22204559 0.82 ADORA3 (0.46) KMT2AMAPTGAAMEN1MAPK1
SCHEMBL22204494 0.77 FGFR4 (0.61) KMT2AMAPTHPGDGAAGFER
SCHEMBL29867447 0.77 FGFR4 (0.61) KMT2AMAPTHPGDGAAGFER
SCHEMBL20802144 0.76 ADORA3 (0.42) KMT2AMAPTHPGDGAAMEN1
SCHEMBL29867767 0.76 HSD17B10 (0.37) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL28377256 0.75 FGFR4 (0.43) KMT2AMAPTHPGDMEN1MAPK1
SCHEMBL20802053 0.75 FGFR4 (0.67) FGFR4FGFR1FGFR2FGFR3
SCHEMBL11544944 0.75 ALDH1A1 (0.53) KMT2AMAPTHPGDGAAGFER
SCHEMBL7464495 0.75 KMT2A (0.58) KMT2AMAPTHPGDGAAGFER

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
CN-110997637-B Aromatic derivative, preparation method and application thereof in medicine 保仕健生物科技(上海)有限公司 2022-09-27 CN disclosed
US-11279697-B2 Aromatic derivative, preparation method for same, and medical applications thereof BIOARDIS LLC (US) 2022-03-22 US disclosed
US-20200262827-A1 AROMATIC DERIVATIVE, PREPARATION METHOD FOR SAME, AND MEDICAL APPLICATIONS THEREOF BIOARDIS LLC (US) 2020-08-20 US disclosed
EP-3680236-A1 AROMATIC DERIVATIVE, PREPARATION METHOD FOR SAME, AND MEDICAL APPLICATIONS THEREOF Bioardis LLC (US) 2020-07-15 EP disclosed
CN-110997637-A Aromatic derivative, preparation method and application thereof in medicine 博奥阿迪斯生物科技公司 2020-04-10 CN 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-11279697-B2 Aromatic derivative, preparation method for same, and medical applications thereof FGFR4, FGFR1, FGFR3 KMT2A 2029/4885MAPT 1356/4885HPGD 3102/4885
US-20200262827-A1 AROMATIC DERIVATIVE, PREPARATION METHOD FOR SAME, AND MEDICAL APPLICATIONS THEREOF FGFR4, FGFR1, FGFR3 KMT2A 2029/4885MAPT 1356/4885HPGD 3102/4885

“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.