SCHEMBL1430356

SCHEMBL1430356

COc1ccc(-c2noc(-c3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.73
S1PR1 P21453 1/20 0.73
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
MAPT P10636 5/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
TPH1 P17752 2/20 0.64
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
LMNA P02545 2/20 0.58
ATM Q13315 1/20 0.58
CHEK1 O14757 1/20 0.57

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
SCHEMBL12171366 0.85 NPC1 (0.78) NR1H4S1PR1NPC1RAB9AMAPT
SCHEMBL1430178 0.85 NR1H4 (0.68) NR1H4S1PR1NPC1RAB9AMAPT
SCHEMBL60692 0.85 NR1H4 (0.68) NR1H4S1PR1NPC1RAB9AMAPT
SCHEMBL6697420 0.84 NR1H4 (1.00) NR1H4S1PR1NPC1RAB9AMAPT
SCHEMBL7291752 0.84 NR1H4 (1.00) NR1H4S1PR1NPC1RAB9AMAPT
SCHEMBL5207218 0.84 MCHR1 (0.60) NR1H4S1PR1
SCHEMBL12171136 0.84 MCHR1 (0.60) NR1H4S1PR1
SCHEMBL30850803 0.83 NPC1 (0.62) NR1H4S1PR1NPC1RAB9AMAPT
SCHEMBL17612678 0.83 NPC1 (0.71) NR1H4NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL19131316 0.83 NPC1 (0.71) NR1H4NPC1RAB9AMAPTSMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US claimed
EP-2300442-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-03-30 EP claimed
WO-2010008831-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-21 WO claimed
US-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2013-04-18 US disclosed
US-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2013-04-18 US disclosed
US-8362050-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-01-29 US disclosed
US-8362050-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-01-29 US disclosed
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US disclosed
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US disclosed
EP-2300442-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-03-30 EP disclosed
WO-2010008831-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-21 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 (2 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-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GPR3 NR1H4 150/4885S1PR1 512/4885NPC1 856/4885
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GPR3 NR1H4 150/4885S1PR1 512/4885NPC1 856/4885

“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.