SCHEMBL650684

SCHEMBL650684

COC(=O)c1ccc(CNCc2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
HSD17B10 Q99714 3/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.52
ALOX15 P16050 1/20 0.52
RAB9A P51151 4/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 3/20 0.49
TSHR P16473 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL668237 0.81 KDM4E (0.62) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL9016956 0.81 LMNA (0.68) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL15393160 0.79 LMNA (0.66) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL14886743 0.79 GSK3A (0.58) ALDH1A1GSK3AGSK3BSMN1; SMN2KMT2A
SCHEMBL29882235 0.77 KDM4E (0.69) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL29245024 0.76 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL5048117 0.76 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL9120468 0.76 KDM4E (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL1040521 0.75 PKM (0.59) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL380994 0.75 CA1 (0.73) ALDH1A1SMN1; SMN2KMT2AMEN1HSD17B10

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 ALDH1A1 3370/4885GSK3A 3410/4885GSK3B 3127/4885

“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.