SCHEMBL21993038

SCHEMBL21993038

COc1ccc(CC(=O)NC2=C(C#N)C(c3ccc(OC)c(-c4cnc(F)c(C)c4)c3)c3c(c4ccccc4oc3=O)O2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TOP2A P11388 1/20 0.38

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
SCHEMBL21992943 0.94 KMT2A (0.42) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21993045 0.93 MEN1 (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21993238 0.85 KMT2A (0.42) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21992944 0.85 KMT2A (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21993009 0.85 KMT2A (0.41) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21993010 0.84 MAPT (0.56) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21992939 0.83 KMT2A (0.43) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21993258 0.82 KDM4E (0.42) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL21992954 0.81 KMT2A (0.43) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL21993296 0.79 KMT2A (0.47) MEN1KMT2AMAPTKDM4ELMNA

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 MEN1 2137/4885KMT2A 4155/4885MAPT 4590/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 MEN1 2137/4885KMT2A 4155/4885MAPT 4590/4885

“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.