SCHEMBL21993035

SCHEMBL21993035

COc1ccc2c3c(c(=O)oc2c1)C(c1ccc(-c2cncnc2)cc1)C(C#N)=C(N)O3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 6/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TOP2A P11388 3/20 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
ALOX15 P16050 1/20 0.44
XDH P47989 1/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MYB P10242 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
SCHEMBL21993004 0.91 MAPT (0.67) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL21993432 0.91 KDM4E (0.61) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL21993256 0.88 KDM4E (0.48) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL21992990 0.88 MAPT (0.59) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL21993056 0.88 KDM4E (0.57) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL21993247 0.88 KDM4E (0.61) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL21993057 0.86 KDM4E (0.56) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL21993044 0.85 KMT2A (0.61) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL21993415 0.85 KDM4E (0.62) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL21992984 0.85 MAPT (0.74) MAPTKDM4EALDH1A1KMT2AMEN1

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