SCHEMBL21993249

SCHEMBL21993249

COc1ccc2c3c(c(=O)oc2c1)C(c1ccc(-c2cnc(Cl)c(C)c2)cc1F)C(C#N)=C(N)O3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
MAPT P10636 7/20 0.45
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 3/20 0.42
HTT P42858 3/20 0.42
TSHR P16473 3/20 0.42
TOP2A P11388 4/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 4/20 0.39
MAPK1 P28482 1/20 0.39
XDH P47989 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.37

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
SCHEMBL21993046 0.90 KDM4E (0.54) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL21993015 0.89 TOP2A (0.54) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL21993054 0.88 TOP2A (0.45) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL21993256 0.86 KDM4E (0.48) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL21993047 0.84 KMT2A (0.52) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL21992969 0.81 KDM4E (0.52) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL21993051 0.80 KDM4E (0.57) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL21992933 0.79 KDM4E (0.50) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL21992985 0.79 KDM4E (0.54) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL21993056 0.78 KDM4E (0.57) KDM4EMAPTALDH1A1KMT2AMEN1

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 KDM4E 3966/4885MAPT 4590/4885ALDH1A1 3051/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 KDM4E 3966/4885MAPT 4590/4885ALDH1A1 3051/4885

“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.