SCHEMBL648030

SCHEMBL648030

COC(OC)c1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
MTOR P42345 1/20 0.35
ADK P55263 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL4119540 0.80 KDM4E (0.40) KDM4EALDH1A1NPC1HPGDTSHR
SCHEMBL2559301 0.80 CYP2A6 (0.36) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL11304791 0.77 PIN1 (0.37) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL10364021 0.77 KDM4E (0.38) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL7549289 0.77 MTOR (0.38) KDM4EALDH1A1NPC1HPGDRAB9A
Hydrochloric Acid SCHEMBL10366283 0.76 ALDH1A1 (0.37) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL10529535 0.73 ADORA3 (0.37) KDM4EALDH1A1NPC1HPGDTSHR
SCHEMBL79611 0.73 ALDH1A1 (0.35) KDM4EALDH1A1NPC1HPGDRAB9A
Benzene SCHEMBL28340915 0.73 ALDH1A1 (0.35) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL7517964 0.73 ALDH1A1 (0.42) KDM4EALDH1A1NPC1HPGDTSHR

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 15 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
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-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
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
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 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
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 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 3370/4885NPC1 3968/4885

“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.