Sugi Predict

Sugi Predict / Compounds / SCHEMBL649604

SCHEMBL649604

SCHEMBL649604

CCCCn1c(-c2ccccc2)nc(Br)c1C[N+](C)(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ HSP90AA1 P07900 2/20 0.35
▸ HSP90AB1 P08238 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ USP2 O75604 1/20 0.34

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
SCHEMBL4767014 0.90 C5AR1 (0.59) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL5423925 0.86 C5AR1 (0.49) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL648840 0.86 C5AR1 (0.51) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL648796 0.85 C5AR1 (0.47) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL649208 0.85 C5AR1 (0.51) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL648834 0.82 C5AR1 (0.57) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL649052 0.82 C5AR1 (0.49) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL650666 0.81 C5AR1 (0.48) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL649605 0.79 C5AR1 (0.65) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL649603 0.78 C5AR1 (0.49) C5AR1SMN1; SMN2LMNAL3MBTL1ALDH1A1

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
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 — — US 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
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 — — EP disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 — — US disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 — — 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.