SCHEMBL7122355

SCHEMBL7122355

[O]c1cccc(Oc2cc(Br)ccc2F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPAS1 Q99814 1/20 0.33
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
TSHR P16473 1/20 0.33
DGAT1 O75907 1/20 0.31
ACHE P22303 1/20 0.31
HSPB1 P04792 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL7572203 0.80 MAPK1 (0.52) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL5669941 0.70 SLC6A4 (0.50) TSHRSLC6A4
SCHEMBL17608977 0.70 MAOB (0.44) MAOBHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL9318461 0.69 SLC6A4 (0.49) TSHRSLC6A4
SCHEMBL6136698 0.68 ALDH1A1 (0.42) MAPK1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL5180640 0.68 MAPT (0.51) ALDH1A1MEN1MAPTKMT2AATM
SCHEMBL1607623 0.66
SCHEMBL19644312 0.66 CXCL8 (0.48) ALDH1A1TDP1MEN1MAPTHTT
SCHEMBL9643385 0.65 CXCL8 (0.50) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL265537 0.65 KDM4E (0.42) TDP1LMNAHTTACHENPC1

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-20030040545-A1 (R)-Chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-02-27 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-20030040545-A1 (R)-Chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PLTP MAPK1 2911/4885ALDH1A1 3571/4885TDP1 2097/4885

“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.