SCHEMBL21993044

SCHEMBL21993044

COc1ccc2oc(=O)c3c(c2c1)OC(N)=C(C#N)C3c1ccc(-c2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
KDM4E B2RXH2 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TSHR P16473 2/20 0.61
MAPT P10636 8/20 0.59
MEN1 O00255 5/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TOP2A P11388 2/20 0.49
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.48
NPC1 O15118 1/20 0.45
POLB P06746 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
SCHEMBL21993432 0.95 KDM4E (0.61) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21992930 0.90 KDM4E (0.65) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21992999 0.90 KDM4E (0.57) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21993037 0.89 KDM4E (0.64) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21992967 0.89 KDM4E (0.66) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21993237 0.89 KMT2A (0.61) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21993039 0.87 KDM4E (0.64) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21992931 0.87 KMT2A (0.64) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21992950 0.87 KDM4E (0.80) KMT2AKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL21992977 0.87 KDM4E (0.61) KMT2AKDM4ESMN1; SMN2TSHRMAPT

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 4155/4885KDM4E 3966/4885SMN1; SMN2 3282/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 KMT2A 4155/4885KDM4E 3966/4885SMN1; SMN2 3282/4885

“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.