SCHEMBL21993427

SCHEMBL21993427

COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(N)cc32)cc1-c1cnc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.48
MEN1 O00255 8/20 0.48
ALDH1A1 P00352 3/20 0.48
TOP2A P11388 3/20 0.48
KDM4E B2RXH2 7/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 8/20 0.47
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP7 Q93009 2/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL21992998 0.93 KMT2A (0.50) KMT2AMEN1ALDH1A1TOP2AKDM4E
SCHEMBL21993454 0.93 KMT2A (0.48) KMT2AMEN1ALDH1A1TOP2AKDM4E
SCHEMBL21992974 0.92 KMT2A (0.47) KMT2AMEN1ALDH1A1TOP2AKDM4E
SCHEMBL21993279 0.92 MAPT (0.57) KMT2AMEN1ALDH1A1TOP2AKDM4E
SCHEMBL21993288 0.91 KDM4E (0.48) KMT2AMEN1ALDH1A1TOP2AKDM4E
SCHEMBL21993267 0.86 TOP2A (0.53) KMT2AMEN1ALDH1A1TOP2AKDM4E
SCHEMBL21992926 0.83 MAPT (0.52) KMT2AMEN1ALDH1A1TOP2AKDM4E
SCHEMBL21993251 0.83 MAPT (0.54) KMT2AMEN1ALDH1A1TOP2AKDM4E
SCHEMBL21993419 0.83 KDM4E (0.54) KMT2AMEN1ALDH1A1TOP2AKDM4E
SCHEMBL21992989 0.82 KMT2A (0.58) KMT2AMEN1ALDH1A1TOP2AKDM4E

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 2137/4885ALDH1A1 3051/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 KMT2A 4155/4885MEN1 2137/4885ALDH1A1 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.