SCHEMBL648635

SCHEMBL648635

CCCCc1c(C)nc(Cl)nc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 3/20 0.49
GLA P06280 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR84 Q9NQS5 1/20 0.45
DCTPP1 Q9H773 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
PSMB5 P28074 1/20 0.43
HSD11B1 P28845 1/20 0.42
TACR3 P29371 1/20 0.42
CYP2C9 P11712 1/20 0.42
CRHBP P24387 1/20 0.42
CYP2C19 P33261 1/20 0.42
CRHR2 Q13324 1/20 0.42
TLR8 Q9NR97 3/20 0.41

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
SCHEMBL647979 0.82 KDM4E (0.44) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL27620786 0.81 KDM4E (0.43) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL25720193 0.77 KDM4E (0.61) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL647774 0.75 HSD11B1 (0.43) ALDH1A1MAPTGPR84DCTPP1PSMB5
SCHEMBL12495846 0.75 TLR8 (0.54) KDM4EALDH1A1LMNAHPGDGLA
SCHEMBL12495851 0.75 TLR8 (0.60) GPR84PSMB5HSD11B1TLR8
SCHEMBL649969 0.73 TLR8 (0.39) KDM4EALDH1A1HPGDKMT2ATLR8
SCHEMBL23070173 0.73 KDM4E (0.65) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL28499792 0.73 KDM4E (0.55) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL1226461 0.72 KDM4E (0.51) KDM4EALDH1A1MAPTLMNAHPGD

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-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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 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
CN-1646497-A Novel arylimidazoles and related compounds as modulators of the C5a receptor NEUROGEN CORP (US) 2005-07-27 CN 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 KDM4E 2551/4885ALDH1A1 3370/4885MAPT 4563/4885

“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.