SCHEMBL4867719

SCHEMBL4867719

O=C(NCc1ccccc1OC(F)F)N1CCCCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.50
PRMT5 O14744 4/20 0.49
WDR77 Q9BQA1 4/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4867266 0.86 MEN1 (0.65) THRBMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL4868464 0.85 THRB (0.52) THRBMAPTPOLBLMNAPRMT5
SCHEMBL4870828 0.84 THRB (0.55) THRBMAPTALDH1A1POLBLMNA
SCHEMBL4865640 0.82 THRB (0.54) THRBMAPTNPC1RAB9APOLB
SCHEMBL4870693 0.82 AVPR2 (0.57) THRBMAPTPOLBLMNAPRMT5
SCHEMBL4863710 0.80 POLB (0.74) THRBPOLBLMNA
SCHEMBL4870694 0.80 POLB (0.59) THRBMAPTSMN1; SMN2POLBLMNA
SCHEMBL4867183 0.80 THRB (0.74) THRBMAPTALDH1A1POLBLMNA
SCHEMBL4871140 0.79 ATM (0.56) THRBMAPTPOLBLMNAPRMT5
SCHEMBL4867174 0.79 THRB (0.53) THRBMAPTSMN1; SMN2POLBLMNA

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
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 THRB 1930/4885MAPT 3398/4885ALDH1A1 3990/4885

“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.