SCHEMBL21992952

SCHEMBL21992952

N#CC1=C(N)Oc2c(c(=O)oc3ccc(F)cc23)C1c1ccc(Br)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.51
MAPT P10636 6/20 0.48
XDH P47989 1/20 0.47
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 3/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
CASP6 P55212 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL21992991 0.90 TOP2A (0.64) TOP2AMAPTXDHKDM4EALDH1A1
SCHEMBL21993446 0.87 MAPT (0.58) TOP2AMAPTXDHKDM4EALDH1A1
SCHEMBL21992969 0.83 KDM4E (0.52) TOP2AMAPTXDHKDM4EALDH1A1
SCHEMBL21993011 0.83 KDM4E (0.48) TOP2AMAPTXDHKDM4EALDH1A1
SCHEMBL21993053 0.81 KDM4E (0.56) TOP2AMAPTXDHKDM4EALDH1A1
SCHEMBL21993054 0.79 TOP2A (0.45) TOP2AMAPTXDHKDM4EALDH1A1
SCHEMBL21993030 0.77 MAPT (0.55) TOP2AMAPTXDHKDM4EALDH1A1
SCHEMBL21993259 0.76 MAPT (0.60) TOP2AMAPTXDHKDM4EALDH1A1
SCHEMBL21992973 0.75 MAPT (0.58) TOP2AMAPTXDHKDM4EALDH1A1
SCHEMBL21992947 0.75 MAPT (0.58) TOP2AMAPTXDHKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20200147039-A1 COMPOUNDS USEFUL IN INHIBITING HUMAN TREFOIL FACTOR 3 ETF1, F3, DNASE1L3 TOP2A 219/4885MAPT 4590/4885XDH 422/4885

“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.