SCHEMBL21993041

SCHEMBL21993041

COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(C)cc32)cc1-c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 7/20 0.43
KDM4E B2RXH2 7/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAOB P27338 1/20 0.40
TOP2A P11388 3/20 0.40
TSHR P16473 3/20 0.39
USP7 Q93009 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL21992994 0.93 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL21993278 0.93 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL21993439 0.92 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL21992958 0.92 MAPT (0.53) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL21993438 0.91 KDM4E (0.47) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL21993243 0.89 MAPT (0.48) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL21992992 0.87 KDM4E (0.49) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL21993020 0.85 MAPT (0.53) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL21993244 0.83 MAPT (0.52) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL21992927 0.83 MAPT (0.50) KMT2AMEN1ALDH1A1MAPTKDM4E

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 KMT2A 4155/4885MEN1 2137/4885ALDH1A1 3051/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 KMT2A 4155/4885MEN1 2137/4885ALDH1A1 3051/4885

“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.