SCHEMBL21992979

SCHEMBL21992979

COc1cccc(-c2cc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccc(O)cc43)ccc2OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.49
MEN1 O00255 7/20 0.49
KDM4E B2RXH2 6/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
LMNA P02545 1/20 0.46
TSHR P16473 3/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EGFR P00533 1/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR4 P22455 1/20 0.45
FGFR3 P22607 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
SCHEMBL21992988 0.94 KMT2A (0.54) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL21993253 0.92 KDM4E (0.51) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL21993250 0.92 MAPT (0.52) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL21992927 0.91 MAPT (0.50) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL21992923 0.91 KDM4E (0.60) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL21993241 0.90 KDM4E (0.55) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL21992928 0.89 KDM4E (0.52) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL21993456 0.88 KMT2A (0.57) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL21993255 0.88 KDM4E (0.57) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL21992929 0.86 KMT2A (0.51) KMT2AMEN1KDM4EMAPTALDH1A1

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-11141402-B2 Compounds useful in inhibiting human trefoil factor 3 NATIONAL UNIVERSITY OF SINGAPORE (SG) 2021-10-12 US disclosed
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 NATIONAL UNIVERSITY OF SINGAPORE (SG) 2020-05-14 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-11141402-B2 Compounds useful in inhibiting human trefoil factor 3 ETF1, F3, DNASE1L3 KMT2A 4155/4885MEN1 2137/4885KDM4E 3966/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 KMT2A 4155/4885MEN1 2137/4885KDM4E 3966/4885

“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.