SCHEMBL5358075

SCHEMBL5358075

O=C(NCc1ccc(F)c(F)c1)C1Cc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.51
TP53 P04637 2/20 0.48
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
CTSD P07339 2/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
KDM1A O60341 1/20 0.43
P2RX7 Q99572 1/20 0.42
PPARG P37231 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL22456651 0.85 TP53 (0.60) TP53ALDH1A1USP2HPGDTSHR
SCHEMBL5358067 0.84 ALDH1A1 (0.59) TP53ALDH1A1USP2HPGDTSHR
SCHEMBL5354227 0.83 SRC (0.50) ALDH1A1USP2HPGDTSHR
SCHEMBL4027409 0.79 ALDH1A1 (0.61) MCHR1ALDH1A1USP2HPGDERCC1
SCHEMBL3455684 0.79 USP2 (0.50) TP53ALDH1A1USP2HPGDERCC1
SCHEMBL5358226 0.78 TP53 (0.57) TP53ALDH1A1USP2HPGDTDP1
SCHEMBL5364591 0.78 TDP1 (0.62) ALDH1A1HPGDTDP1KMT2A
SCHEMBL5373226 0.78 ALDH1A1 (0.52) TP53ALDH1A1USP2HPGD
SCHEMBL12101966 0.78 ERCC1 (0.51) MCHR1ALDH1A1USP2HPGDERCC1
SCHEMBL5354389 0.77 P2RX7 (0.50) TDP1P2RX7MEN1KMT2A

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 8 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-7148225-B2 Substituted biaryl amides as C5A receptor modulators NEUROGEN CORPORATION (US) 2006-12-12 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 MCHR1 492/4885TP53 3699/4885ALDH1A1 1494/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 MCHR1 531/4885TP53 3814/4885ALDH1A1 1680/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 MCHR1 531/4885TP53 3814/4885ALDH1A1 1680/4885

“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.