SCHEMBL21662337

SCHEMBL21662337

O=C1C=C(c2ccccc2Br)CC(c2cc(F)ccc2Br)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SLC9A1 P19634 2/20 0.32
SLC9A2 Q9UBY0 2/20 0.32
SLC9A3 P48764 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAOB P27338 3/20 0.31

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
SCHEMBL21661972 0.90 L3MBTL1 (0.43) L3MBTL1TDP1ATMMAP1LC3BKMT2A
SCHEMBL21662194 0.88 L3MBTL1 (0.39) L3MBTL1TDP1ATMALDH1A1MAOB
SCHEMBL19781085 0.85 MAP1LC3B (0.44) L3MBTL1TDP1MAP1LC3BKMT2ABRD4
SCHEMBL21661978 0.84 L3MBTL1 (0.33) L3MBTL1TDP1MAP1LC3BMAOB
SCHEMBL21662151 0.84 ALDH1A1 (0.39) L3MBTL1TDP1ATMMAP1LC3BKMT2A
SCHEMBL21662152 0.83 L3MBTL1 (0.43) L3MBTL1TDP1ATMMAP1LC3BBRD4
SCHEMBL21662331 0.81 L3MBTL1 (0.39) L3MBTL1TDP1ATMMAP1LC3BKMT2A
SCHEMBL21662334 0.80 ALDH1A1 (0.40) L3MBTL1TDP1ATMMAP1LC3BKMT2A
SCHEMBL23956059 0.79 L3MBTL1 (0.39) L3MBTL1TDP1ATMALDH1A1MAOB
SCHEMBL21661974 0.79 L3MBTL1 (0.39) L3MBTL1TDP1ATMMAP1LC3BALDH1A1

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
EP-3601257-B1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
US-20200039903-A1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2020-02-06 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-20200039903-A1 AROMATIC COMPOUNDS PAH, ALG3, DDC L3MBTL1 3034/4885TDP1 2113/4885ATM 3855/4885

“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.