SCHEMBL21992995

SCHEMBL21992995

COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(O)cc32)cc1-c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.50
KDM4E B2RXH2 7/20 0.50
MEN1 O00255 7/20 0.50
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TOP2A P11388 4/20 0.45
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.44
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
XDH P47989 1/20 0.42
MYB P10242 1/20 0.41

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
SCHEMBL21993042 0.92 KDM4E (0.49) KMT2AKDM4EMEN1MAPTLMNA
SCHEMBL21993993 0.92 MAPT (0.57) KMT2AKDM4EMEN1MAPTLMNA
SCHEMBL21993040 0.92 KDM4E (0.53) KMT2AKDM4EMEN1MAPTLMNA
SCHEMBL21992992 0.92 KDM4E (0.49) KMT2AKDM4EMEN1MAPTLMNA
SCHEMBL21993043 0.90 KDM4E (0.54) KMT2AKDM4EMEN1MAPTLMNA
SCHEMBL21992929 0.89 KMT2A (0.51) KMT2AKDM4EMEN1MAPTLMNA
SCHEMBL21993250 0.87 MAPT (0.52) KMT2AKDM4EMEN1MAPTLMNA
SCHEMBL21993439 0.87 KMT2A (0.44) KMT2AKDM4EMEN1MAPTLMNA
SCHEMBL21992920 0.86 MAPT (0.53) KMT2AKDM4EMEN1MAPTLMNA
SCHEMBL21993445 0.82 MYB (0.54) KMT2AKDM4EMEN1MAPTLMNA

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 4155/4885KDM4E 3966/4885MEN1 2137/4885
US-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 KMT2A 4155/4885KDM4E 3966/4885MEN1 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.