SCHEMBL21993937

SCHEMBL21993937

CCc1ccc2oc(=O)c3c(c2c1)OC(N)=C(C#N)C3c1ccc(-c2cnc(F)c(C)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 7/20 0.48
TOP2A P11388 4/20 0.47
ALDH1A1 P00352 6/20 0.46
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.45
XDH P47989 1/20 0.42
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL21993442 0.90 KDM4E (0.51) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21993021 0.90 TOP2A (0.52) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21993019 0.89 KDM4E (0.49) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21932709 0.89 MAPT (0.62) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL30233363 0.89 MAPT (0.62) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21993296 0.88 KMT2A (0.47) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21992985 0.87 KDM4E (0.54) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21992935 0.85 KDM4E (0.62) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21992933 0.83 KDM4E (0.50) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21992977 0.83 KDM4E (0.61) KDM4EKMT2AMEN1CYP1A2CYP2C9

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 3966/4885KMT2A 4155/4885MEN1 2137/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 KDM4E 3966/4885KMT2A 4155/4885MEN1 2137/4885

“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.