SCHEMBL4355530

SCHEMBL4355530

Oc1ccc(NCc2cccc(C(F)(F)F)c2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
P2RX7 Q99572 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PLA2G1B P04054 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
MAOB P27338 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL4351774 0.86 FFAR1 (0.54) FFAR1FFAR4P2RX7LMNAHPGD
SCHEMBL4341276 0.85 FFAR1 (0.56) FFAR1FFAR4MEN1KMT2APLA2G1B
SCHEMBL5226860 0.81 FFAR1 (0.61) FFAR1FFAR4P2RX7LMNAHPGD
SCHEMBL631859 0.80 MEN1 (0.55) FFAR1FFAR4P2RX7LMNAHPGD
SCHEMBL23675407 0.80 TMPRSS4 (0.61) FFAR1FFAR4P2RX7LMNAHPGD
SCHEMBL30100480 0.80 TMPRSS4 (0.61) FFAR1FFAR4P2RX7LMNAHPGD
SCHEMBL10960775 0.79 CA1 (0.54) FFAR1FFAR4MEN1KMT2ACYP1A2
SCHEMBL4348558 0.79 MAPT (0.52) FFAR1P2RX7HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL11798665 0.78 CA1 (0.52) FFAR1FFAR4MEN1KMT2ACYP1A2
SCHEMBL2457299 0.77 FFAR1 (0.48) FFAR1FFAR4P2RX7MEN1KMT2A

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
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US disclosed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 FFAR1 736/4885FFAR4 778/4885P2RX7 3177/4885

“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.