SCHEMBL21993433

SCHEMBL21993433

N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.83
KDM4E B2RXH2 9/20 0.78
KMT2A Q03164 5/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
TSHR P16473 3/20 0.78
MEN1 O00255 4/20 0.74
ALDH1A1 P00352 3/20 0.74
CYP1A2 P05177 1/20 0.74
CYP2C9 P11712 1/20 0.74
CYP2C19 P33261 1/20 0.74
TOP2A P11388 4/20 0.73
XDH P47989 1/20 0.71
HTT P42858 3/20 0.67
GAA P10253 2/20 0.67
POLB P06746 1/20 0.67
CASP6 P55212 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
LMNA P02545 3/20 0.64
HPGD P15428 2/20 0.63

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
SCHEMBL21992940 0.93 MAPT (0.77) MAPTKDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL21993260 0.91 MAPT (0.77) MAPTKDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL28448635 0.91 MAPT (0.77) MAPTKDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL29321189 0.91 MAPT (0.77) MAPTKDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL28443750 0.91 MAPT (0.77) MAPTKDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL30776102 0.91 MAPT (0.77) MAPTKDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL27148370 0.91 MAPT (0.77) MAPTKDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL31072431 0.90 MAPT (0.72) MAPTKDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL21992955 0.88 MAPT (0.72) MAPTKDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL21993018 0.87 MAPT (0.88) MAPTKDM4EKMT2ASMN1; SMN2TSHR

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 3966/4885KMT2A 4155/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 MAPT 4590/4885KDM4E 3966/4885KMT2A 4155/4885

“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.