SCHEMBL4445169

SCHEMBL4445169

O=C(c1ccccc1CBr)c1cc(F)ccc1CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
KEAP1 Q14145 1/20 0.36
MDM2 Q00987 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAOB P27338 1/20 0.35
PTPN1 P18031 1/20 0.34

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
SCHEMBL4440969 0.90 CES2 (0.39) CES2CES1MAPTSMN1; SMN2PKM
SCHEMBL3135339 0.84 FOLH1 (0.41) CES2CES1MAPTSMN1; SMN2LMNA
SCHEMBL1773490 0.80 CDC25B (0.47) MDM2MEN1NPC1KMT2APTPN1
SCHEMBL4441884 0.80 RECQL (0.49) MAPTSMN1; SMN2MEN1NPC1HPGD
SCHEMBL150440 0.79 KEAP1 (0.53) CES2CES1MAPTPKMKEAP1
SCHEMBL1773628 0.76 MDM2 (0.46) CES2CES1MDM2
SCHEMBL2280625 0.75 ALDH1A1 (0.42) SMN1; SMN2MEN1NPC1HPGDKMT2A
SCHEMBL3686025 0.75 IDO1 (0.47) MAPTSMN1; SMN2MEN1HPGDHTT
SCHEMBL1773321 0.74 GSK3B (0.47) CES2CES1PTPN1
Bromide SCHEMBL4446862 0.74 IDO1 (0.46) MAPTSMN1; SMN2MEN1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 CES2 2315/4885CES1 848/4885MAPT 661/4885

“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.