SCHEMBL21992962

SCHEMBL21992962

COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
KMT2A Q03164 6/20 0.68
TSHR P16473 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MAPT P10636 6/20 0.64
MEN1 O00255 5/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TOP2A P11388 4/20 0.55
LMNA P02545 1/20 0.54
USP7 Q93009 2/20 0.51
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
ATM Q13315 1/20 0.50
XDH P47989 1/20 0.49
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL21992989 0.93 KMT2A (0.58) KDM4EKMT2ATSHRSMN1; SMN2MAPT
SCHEMBL21993456 0.92 KMT2A (0.57) KDM4EKMT2ATSHRSMN1; SMN2MAPT
SCHEMBL21993282 0.92 KMT2A (0.57) KDM4EKMT2ATSHRSMN1; SMN2MAPT
SCHEMBL21992999 0.92 KDM4E (0.57) KDM4EKMT2ATSHRSMN1; SMN2MAPT
SCHEMBL21992961 0.91 MAPT (0.63) KDM4EKMT2ATSHRSMN1; SMN2MAPT
SCHEMBL21993426 0.90 KDM4E (0.55) KDM4EKMT2ATSHRSMN1; SMN2MAPT
SCHEMBL21992923 0.87 KDM4E (0.60) KDM4EKMT2ATSHRSMN1; SMN2MAPT
SCHEMBL21992950 0.85 KDM4E (0.80) KDM4EKMT2ATSHRSMN1; SMN2MAPT
SCHEMBL21993250 0.85 MAPT (0.52) KDM4EKMT2ATSHRSMN1; SMN2MAPT
SCHEMBL21992959 0.84 MAPT (0.61) KDM4EKMT2ATSHRSMN1; SMN2MAPT

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 KDM4E 3966/4885KMT2A 4155/4885TSHR 459/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 KDM4E 3966/4885KMT2A 4155/4885TSHR 459/4885

“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.