SCHEMBL2991678

SCHEMBL2991678

O=C(Nc1cccc(F)c1)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.74
LMNA P02545 1/20 0.69
HIF1A Q16665 1/20 0.69
TAAR1 Q96RJ0 1/20 0.69
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
TSHR P16473 2/20 0.69
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
HPGD P15428 1/20 0.68
HTT P42858 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
BRAF P15056 1/20 0.65
CSF1R P07333 1/20 0.65
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
ROCK2 O75116 1/20 0.63
ROCK1 Q13464 1/20 0.63
CYP11B1 P15538 1/20 0.62

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
SCHEMBL29354335 1.00 KCNK3 (0.74) KCNK3LMNAHIF1ATAAR1KMT2A
SCHEMBL23565666 0.88 BRAF (0.76) KCNK3LMNAHIF1ATAAR1KMT2A
SCHEMBL28777522 0.88 LMNA (0.69) KCNK3LMNAHIF1AKMT2AMEN1
SCHEMBL10940026 0.84 KCNK3 (0.81) KCNK3LMNAHIF1AKMT2AMEN1
SCHEMBL1520222 0.84 KCNK3 (0.76) KCNK3LMNAHIF1AKMT2AMEN1
SCHEMBL9031269 0.83 ROCK2 (0.73) LMNAHIF1AKMT2AMEN1NPC1
SCHEMBL29362556 0.83 ROCK2 (0.73) LMNAHIF1AKMT2AMEN1NPC1
SCHEMBL29489337 0.83 NPC1 (0.73) KCNK3LMNATAAR1KMT2AMEN1
SCHEMBL1571386 0.82 LMNA (1.00) KCNK3LMNAHIF1AKMT2AMEN1
SCHEMBL2105307 0.82 KCNK3 (0.74) KCNK3LMNAHIF1AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3330259-B1 1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2020-06-10 EP disclosed
EP-3330259-A1 1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-06-06 EP disclosed
WO-2013059582-A2 SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES NUPOTENTIAL, INC. (US) 2013-04-25 WO disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 KCNK3 1972/4885LMNA 1347/4885HIF1A 1126/4885

“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.