SCHEMBL21993024

SCHEMBL21993024

Cc1ccc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c(F)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.56
KMT2A Q03164 7/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TSHR P16473 3/20 0.56
TOP2A P11388 4/20 0.56
MAPT P10636 8/20 0.54
MEN1 O00255 6/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
XDH P47989 1/20 0.51
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 4/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
CASP6 P55212 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL21993450 0.89 KDM4E (0.67) KDM4EKMT2ASMN1; SMN2TSHRTOP2A
SCHEMBL21993015 0.89 TOP2A (0.54) KDM4EKMT2ASMN1; SMN2TSHRTOP2A
SCHEMBL21992997 0.87 MAPT (0.59) KDM4EKMT2ASMN1; SMN2TSHRTOP2A
SCHEMBL21993246 0.86 MAPT (0.68) KDM4EKMT2ASMN1; SMN2TSHRTOP2A
SCHEMBL21993436 0.86 MAPT (0.68) KDM4EKMT2ASMN1; SMN2TSHRTOP2A
SCHEMBL21992932 0.85 TOP2A (0.58) KDM4EKMT2ASMN1; SMN2TSHRTOP2A
SCHEMBL21993048 0.85 TOP2A (0.60) KDM4EKMT2ASMN1; SMN2TSHRTOP2A
SCHEMBL21993248 0.85 TOP2A (0.59) KDM4EKMT2ASMN1; SMN2TSHRTOP2A
SCHEMBL21993399 0.85 MAPT (0.54) KDM4EKMT2ASMN1; SMN2TSHRTOP2A
SCHEMBL21993051 0.84 KDM4E (0.57) KDM4EKMT2ASMN1; SMN2TSHRTOP2A

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