SCHEMBL5354330

SCHEMBL5354330

NC(=O)c1ccc(CNC(=O)C2Cc3ccccc3C2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 5/20 0.50
ERCC4 Q92889 5/20 0.50
TP53 P04637 3/20 0.45
CTSD P07339 2/20 0.44
ALDH1A1 P00352 3/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
BLM P54132 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PARP1 P09874 1/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL5354334 0.82 FYN (0.52) ALDH1A1HPGD
SCHEMBL22456651 0.81 TP53 (0.60) TP53ALDH1A1USP2HPGDBLM
SCHEMBL3455684 0.78 USP2 (0.50) ERCC1ERCC4TP53ALDH1A1USP2
SCHEMBL5358075 0.76 MCHR1 (0.51) ERCC1ERCC4TP53CTSDALDH1A1
SCHEMBL5358226 0.74 TP53 (0.57) TP53ALDH1A1USP2HPGDPKM
SCHEMBL5358067 0.74 ALDH1A1 (0.59) TP53ALDH1A1USP2HPGDNPC1
SCHEMBL5373226 0.74 ALDH1A1 (0.52) TP53ALDH1A1USP2HPGD
SCHEMBL5354227 0.74 SRC (0.50) ALDH1A1USP2HPGDRAB9A
SCHEMBL5361142 0.72 SMN1; SMN2 (0.65) TP53ALDH1A1HPGDBLMNPC1
SCHEMBL22052045 0.72 TP53 (0.52) TP53ALDH1A1USP2HPGDBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ERCC1 3630/4885ERCC4 3282/4885TP53 3699/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 ERCC1 3869/4885ERCC4 3339/4885TP53 3814/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 ERCC1 3869/4885ERCC4 3339/4885TP53 3814/4885

“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.