SCHEMBL6841241

SCHEMBL6841241

O=C(NNOC(=O)c1cccc(OCc2cncc3ccccc23)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.43
SMPD1 P17405 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
NPC1 O15118 2/20 0.41
NR4A2 P43354 2/20 0.41
RAB9A P51151 2/20 0.41
GCK P35557 1/20 0.41
GPR132 Q9UNW8 4/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
CMKLR2 P46091 1/20 0.39
CMKLR1 Q99788 1/20 0.39

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
SCHEMBL6846626 0.93 TDP1 (0.45) CYSLTR1NPC1NR4A2RAB9AGCK
SCHEMBL6848196 0.85 CYSLTR1 (0.58) CYSLTR1GPBAR1NPC1NR4A2RAB9A
SCHEMBL6846744 0.84 NR4A2 (0.57) CYSLTR1GPBAR1NPC1NR4A2RAB9A
SCHEMBL6841240 0.83 MEN1 (0.47) CYSLTR1SMPD1GPBAR1NPC1NR4A2
Hydrochloric Acid SCHEMBL6841319 0.82 NR4A2 (0.56) CYSLTR1GPBAR1NPC1NR4A2RAB9A
SCHEMBL6846623 0.80 GPR132 (0.45) NPC1NR4A2RAB9AGPR132MEN1
SCHEMBL6846891 0.80 SMPD1 (0.52) SMPD1NPC1NR4A2RAB9AGPR132
SCHEMBL6846907 0.78 BRAF (0.49) NPC1RAB9ASIRT2SIRT1SIRT3
SCHEMBL7550926 0.76 CYSLTR1 (0.42) CYSLTR1SMPD1GPBAR1NPC1NR4A2
SCHEMBL6845358 0.75 NPC1 (0.47) NPC1RAB9AGCKSIRT2SIRT1

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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US claimed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP claimed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US 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 CYSLTR1 1805/4885SMPD1 1129/4885GPBAR1 2039/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA CYSLTR1 1805/4885SMPD1 1129/4885GPBAR1 2039/4885

“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.