SCHEMBL648599

SCHEMBL648599

CCCCn1c(-c2ccccc2O)nc(-c2ccccc2)c1CN(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 3/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PKM P14618 1/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 4/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL652149 0.93 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL648388 0.91 C5AR1 (0.64) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL4767016 0.90 C5AR1 (0.75) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL1913066 0.90 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL650904 0.90 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL651170 0.90 C5AR1 (0.62) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL651187 0.89 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL653382 0.89 C5AR1 (0.68) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL5135929 0.89 C5AR1 (0.72) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR
SCHEMBL651414 0.89 C5AR1 (0.69) C5AR1SMN1; SMN2LMNAL3MBTL1TSHR

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-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO 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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 C5AR1 2/4885SMN1; SMN2 4667/4885LMNA 4797/4885

“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.