SCHEMBL5364591

SCHEMBL5364591

O=C(NCc1ccccc1F)C1Cc2ccccc2C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
PKM P14618 1/20 0.55
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.51
GRM7 Q14831 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NPC1 O15118 1/20 0.48
PPIA P62937 1/20 0.48
RIPK1 Q13546 1/20 0.48
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL5354389 0.86 P2RX7 (0.50) TDP1PKMKDM4EKMT2A
SCHEMBL5072892 0.86 PKM (0.66) TDP1PKMKDM4ELMNAPOLB
SCHEMBL30098385 0.84 TP53 (0.64) TDP1PKMMAPT
SCHEMBL5358064 0.82 LMNA (0.57) TDP1KDM4ELMNAPOLBMAPT
Formic Acid SCHEMBL5082474 0.81 PKM (0.60) TDP1PKMKDM4ELMNAPOLB
SCHEMBL13745755 0.79 PKM (0.59) PKMKDM4ELMNAPOLBMAPT
SCHEMBL22456651 0.79 TP53 (0.60) LMNAALDH1A1HPGD
SCHEMBL5358067 0.79 ALDH1A1 (0.59) POLBMAPTALDH1A1NPC1KMT2A
SCHEMBL5358075 0.78 MCHR1 (0.51) TDP1ALDH1A1KMT2AHPGD
SCHEMBL6949088 0.77 PKM (0.54) TDP1PKMKDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US claimed
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2006-08-10 US claimed
EP-1487796-A4 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2005-11-16 EP claimed
EP-1487796-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-12-22 EP claimed
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US claimed
WO-2003082826-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 WO claimed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7148225-B2 Substituted biaryl amides as C5A receptor modulators NEUROGEN CORPORATION (US) 2006-12-12 US disclosed
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2006-08-10 US disclosed
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-05-05 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 (3 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-20040048913-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 TDP1 4028/4885PKM 4718/4885KDM4E 3896/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 TDP1 4185/4885PKM 4681/4885KDM4E 3737/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 TDP1 4185/4885PKM 4681/4885KDM4E 3737/4885

“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.