SCHEMBL21994018

SCHEMBL21994018

Cc1cc(-c2ccc(C3C(C#N)=C(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)Oc4c3c(=O)oc3ccccc43)cc2)cnc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 4/20 0.41
TOP2A P11388 2/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CASP6 P55212 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL21992936 0.93 KDM4E (0.45) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL21993293 0.90 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL21992937 0.90 KDM4E (0.47) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL21992939 0.82 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL21992954 0.82 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL30233363 0.81 MAPT (0.62) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL21932709 0.81 MAPT (0.62) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL21993295 0.77 MAPT (0.43) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL21992946 0.77 KDM4E (0.42) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL21992945 0.76 KDM4E (0.41) KMT2AMEN1ALDH1A1KDM4ECYP1A2

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.