SCHEMBL26499121

SCHEMBL26499121

O=C(OCc1ccccc1)c1nc(F)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TSHR P16473 2/20 0.48
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45
POLB P06746 1/20 0.42
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
RAB9A P51151 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
SCHEMBL30200423 0.79 TARBP2 (0.46) KMT2ATSHRALDH1A1LMNAMAPT
SCHEMBL11183573 0.77 ALDH1A1 (0.55) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL17598786 0.75 TDP1 (0.61) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL30249381 0.74 ESR1 (0.51) TDP1KMT2ATSHRALDH1A1LMNA
SCHEMBL11180252 0.74 ALDH1A1 (0.53) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL19936505 0.73 TDP1 (0.59) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL23309669 0.73 TDP1 (0.64) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL3497492 0.72 KMT2A (0.58) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL25753517 0.72 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL25753513 0.72 TSHR (0.52) TDP1KMT2ASLC6A2SLC6A3TSHR

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-11786519-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2023-10-17 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-11786519-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases BAX, BCL2, BCL3 TDP1 2601/4885KMT2A 3919/4885SLC6A2 4871/4885

“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.