SCHEMBL21992932

SCHEMBL21992932

Cc1ccccc1-c1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.58
XDH P47989 1/20 0.56
KDM4E B2RXH2 10/20 0.55
MAPT P10636 8/20 0.55
ALDH1A1 P00352 3/20 0.54
HTT P42858 3/20 0.53
TSHR P16473 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KMT2A Q03164 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 5/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 4/20 0.52
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
CASP6 P55212 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL21993025 0.90 TOP2A (0.61) TOP2AXDHKDM4EMAPTALDH1A1
SCHEMBL21993399 0.87 MAPT (0.54) TOP2AXDHKDM4EMAPTALDH1A1
SCHEMBL21993048 0.86 TOP2A (0.60) TOP2AXDHKDM4EMAPTALDH1A1
SCHEMBL21993024 0.85 KDM4E (0.56) TOP2AXDHKDM4EMAPTALDH1A1
SCHEMBL21992964 0.85 MAPT (0.68) TOP2AXDHKDM4EMAPTALDH1A1
SCHEMBL21993246 0.85 MAPT (0.68) TOP2AXDHKDM4EMAPTALDH1A1
SCHEMBL21993051 0.84 KDM4E (0.57) TOP2AXDHKDM4EMAPTALDH1A1
SCHEMBL21992997 0.84 MAPT (0.59) TOP2AXDHKDM4EMAPTALDH1A1
SCHEMBL21993007 0.84 TOP2A (0.58) TOP2AXDHKDM4EMAPTALDH1A1
SCHEMBL21992991 0.83 TOP2A (0.64) TOP2AXDHKDM4EMAPTALDH1A1

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 TOP2A 219/4885XDH 422/4885KDM4E 3966/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 TOP2A 219/4885XDH 422/4885KDM4E 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.