SCHEMBL21993056

SCHEMBL21993056

COc1ccc2c3c(c(=O)oc2c1)C(c1ccc(-c2ccc(C)nc2)cc1)C(C#N)=C(N)O3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.57
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPT P10636 8/20 0.55
ALDH1A1 P00352 7/20 0.55
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TOP2A P11388 2/20 0.50
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 2/20 0.44
GPR55 Q9Y2T6 1/20 0.43
LMNA P02545 2/20 0.43
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL21993432 0.89 KDM4E (0.61) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21993405 0.89 KDM4E (0.54) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21993046 0.89 KDM4E (0.54) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21993035 0.88 MAPT (0.57) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21993004 0.88 MAPT (0.67) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21992990 0.87 MAPT (0.59) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21993436 0.87 MAPT (0.68) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21993247 0.86 KDM4E (0.61) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21993292 0.85 MAPT (0.53) KDM4EKMT2AMEN1CYP1A2CYP2C9
SCHEMBL21993415 0.84 KDM4E (0.62) 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.