SCHEMBL22624762

SCHEMBL22624762

O=[N+]([O-])c1ccc(O)c(CNc2cccc3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.60
▸ MEN1 O00255 6/20 0.60
▸ MAPT P10636 4/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ RORC P51449 1/20 0.50
▸ APP P05067 1/20 0.49
▸ ALOX5 P09917 2/20 0.49
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ITGA4 P13612 1/20 0.46
▸ ITGB7 P26010 1/20 0.46
▸ CYP19A1 P11511 1/20 0.45
▸ PTGES O14684 1/20 0.45
▸ RRM1 P23921 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
SCHEMBL22624694 0.85 APP (0.54) KMT2AMEN1MAPTALDH1A1RORC
SCHEMBL11507416 0.84 APP (0.57) KMT2AMEN1MAPTALDH1A1APP
SCHEMBL22624736 0.82 MAPT (0.57) KMT2AMEN1MAPTALDH1A1RORC
SCHEMBL22624801 0.82 MEN1 (0.58) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL34475043 0.82 RORC (0.52) KMT2AMEN1MAPTALDH1A1RORC
SCHEMBL22624757 0.82 LMNA (0.57) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL22624754 0.80 MYC (0.53) KMT2AMEN1MAPTALDH1A1APP
SCHEMBL1866907 0.80 KMT2A (0.59) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL22624791 0.79 APP (0.48) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL22624699 0.79 RORC (0.51) KMT2AMEN1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317076-A9 COMPOUNDS WITH ANTIMICROBIAL ACTIVITY THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2021-10-14 — — US disclosed
US-20200347010-A1 COMPOUNDS WITH ANTIMICROBIAL ACTIVITY UNIV HONG KONG POLYTECHNIC (CN) 2020-11-05 — — 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 (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-20200347010-A1 COMPOUNDS WITH ANTIMICROBIAL ACTIVITY CFTR, FPR3, FPR1 KMT2A 4213/4885MEN1 376/4885MAPT 4046/4885
US-20210317076-A9 COMPOUNDS WITH ANTIMICROBIAL ACTIVITY CFTR, FPR3, FPR1 KMT2A 4213/4885MEN1 376/4885MAPT 4046/4885

“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.

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