SCHEMBL6846744

SCHEMBL6846744

O=C(O)c1cccc(OCc2cncc3ccccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
GPBAR1 Q8TDU6 1/20 0.57
CYSLTR1 Q9Y271 1/20 0.57
NR4A1 P22736 1/20 0.52
NR4A3 Q92570 1/20 0.52
MRGPRX4 Q96LA9 4/20 0.51
SRD5A2 P31213 1/20 0.48
KMT2A Q03164 1/20 0.47
GCK P35557 1/20 0.47
NR1H4 Q96RI1 1/20 0.46

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
Hydrochloric Acid SCHEMBL6841319 0.99 NR4A2 (0.56) NR4A2NPC1RAB9AGPBAR1CYSLTR1
SCHEMBL6848196 0.87 CYSLTR1 (0.58) NR4A2NPC1RAB9AGPBAR1CYSLTR1
SCHEMBL7222374 0.85 NR4A2 (0.68) NR4A2NPC1RAB9AGPBAR1CYSLTR1
SCHEMBL6841240 0.85 MEN1 (0.47) NR4A2NPC1RAB9AGPBAR1CYSLTR1
SCHEMBL7550926 0.84 CYSLTR1 (0.42) NR4A2NPC1RAB9AGPBAR1CYSLTR1
SCHEMBL6841241 0.84 CYSLTR1 (0.43) NR4A2NPC1RAB9AGPBAR1CYSLTR1
SCHEMBL6846891 0.84 SMPD1 (0.52) NR4A2NPC1RAB9AKMT2ANR1H4
SCHEMBL10549321 0.82 CYP11B1 (0.49) NPC1RAB9ACYSLTR1KMT2A
SCHEMBL6846821 0.80 MAOB (0.53) NPC1RAB9A
SCHEMBL6846500 0.80 MRGPRX4 (0.46) MRGPRX4GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP claimed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO claimed
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA NR4A2 3478/4885NPC1 4543/4885RAB9A 1183/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA NR4A2 3478/4885NPC1 4543/4885RAB9A 1183/4885

“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.