SCHEMBL4708317

SCHEMBL4708317

OC(c1ccccc1F)c1cccnc1Br

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
P4HB P07237 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
CTSA P10619 2/20 0.33
KDM4E B2RXH2 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL4706914 0.79 GAA (0.53) MAPTTRIM24TRIM33CTSAKDM4E
SCHEMBL4707217 0.79 CYP2C19 (0.45) P4HBMAPTCTSAKDM4E
SCHEMBL1902230 0.79 CES2 (0.52) CES2CES1MAPTBRD4
SCHEMBL30057873 0.79 CES2 (0.52) CES2CES1MAPTBRD4
SCHEMBL4705535 0.79 ACP3 (0.38) KDM4E
SCHEMBL4706109 0.79 SMN1; SMN2 (0.47) LMNAMAPTTRIM24TRIM33KDM4E
SCHEMBL4708299 0.77 TDP1 (0.49) LMNATP53MAPTCTSAKDM4E
SCHEMBL31470014 0.76 CES2 (0.43) HDAC4CES2CES1BRD4
SCHEMBL16838712 0.73 TRIM24 (0.43) USP2LMNATP53MAPTTRIM24
SCHEMBL29743319 0.73 TRIM24 (0.43) USP2LMNATP53MAPTTRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174663-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2024-05-30 US disclosed
EP-4301751-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS King's College London (GB) 2024-01-10 EP disclosed
WO-2022185057-A1 PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS KING'S COLLEGE LONDON (GB) 2022-09-09 WO disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
CN-1312136-C Triazole derivatives as tachykinin receptor antagonists LILLY CO ELI (US) 2007-04-25 CN disclosed
CN-1646502-A Triazole derivatives as tachykinin receptor antagonists LILLY CO ELI (US) 2005-07-27 CN 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-20240174663-A1 PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS HCN2, HCN1, HCN3 HDAC4 2327/4885CES2 2181/4885CES1 3001/4885

“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.