SCHEMBL21993445

SCHEMBL21993445

COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(O)cc32)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MYB P10242 1/20 0.54
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
KDM4E B2RXH2 5/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 1/20 0.49
USP7 Q93009 7/20 0.47
TOP2A P11388 2/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL21992965 0.91 MYB (0.55) MYBKMT2AMEN1KDM4EMAPT
SCHEMBL21992986 0.90 KDM4E (0.56) MYBKMT2AMEN1KDM4EMAPT
SCHEMBL21993420 0.90 MYB (0.54) MYBKMT2AMEN1KDM4EMAPT
SCHEMBL21993407 0.89 MAPT (0.65) MYBKMT2AMEN1KDM4EMAPT
SCHEMBL21992983 0.88 KMT2A (0.54) MYBKMT2AMEN1KDM4EMAPT
SCHEMBL21993250 0.86 MAPT (0.52) MYBKMT2AMEN1KDM4EMAPT
SCHEMBL21992947 0.85 MAPT (0.58) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL21992929 0.85 KMT2A (0.51) MYBKMT2AMEN1KDM4EMAPT
SCHEMBL21992979 0.83 KMT2A (0.49) MYBKMT2AMEN1KDM4EMAPT
SCHEMBL21993456 0.83 KMT2A (0.57) KMT2AMEN1KDM4EMAPTALDH1A1

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 MYB 2064/4885KMT2A 4155/4885MEN1 2137/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 MYB 2064/4885KMT2A 4155/4885MEN1 2137/4885

“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.