SCHEMBL21993399

SCHEMBL21993399

Cc1c(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c(F)c2)ccnc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
TOP2A P11388 4/20 0.53
KDM4E B2RXH2 10/20 0.52
KMT2A Q03164 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TSHR P16473 3/20 0.52
MEN1 O00255 6/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
XDH P47989 1/20 0.49
HTT P42858 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 4/20 0.48
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL21992932 0.87 TOP2A (0.58) MAPTTOP2AKDM4EKMT2ASMN1; SMN2
SCHEMBL21993024 0.85 KDM4E (0.56) MAPTTOP2AKDM4EKMT2ASMN1; SMN2
SCHEMBL21993025 0.84 TOP2A (0.61) MAPTTOP2AKDM4EKMT2ASMN1; SMN2
SCHEMBL21993246 0.84 MAPT (0.68) MAPTTOP2AKDM4EKMT2ASMN1; SMN2
SCHEMBL21993450 0.82 KDM4E (0.67) MAPTTOP2AKDM4EKMT2ASMN1; SMN2
SCHEMBL21993015 0.82 TOP2A (0.54) MAPTTOP2AKDM4EKMT2ASMN1; SMN2
SCHEMBL21992997 0.82 MAPT (0.59) MAPTTOP2AKDM4EKMT2ASMN1; SMN2
SCHEMBL21993048 0.81 TOP2A (0.60) MAPTTOP2AKDM4EKMT2ASMN1; SMN2
SCHEMBL21993050 0.81 MAPT (0.52) MAPTTOP2AKDM4EKMT2ASMN1; SMN2
SCHEMBL21993007 0.80 TOP2A (0.58) MAPTTOP2AKDM4EKMT2ASMN1; SMN2

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 4590/4885TOP2A 219/4885KDM4E 3966/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 MAPT 4590/4885TOP2A 219/4885KDM4E 3966/4885

“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.