SCHEMBL6846891

SCHEMBL6846891

O=C(NOCc1ccccc1)c1cccc(OCc2cncc3ccccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NR4A2 P43354 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
GPR132 Q9UNW8 4/20 0.46
MAOB P27338 1/20 0.46
GUSB P08236 1/20 0.45
PTPN1 P18031 1/20 0.45

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
SCHEMBL6846744 0.84 NR4A2 (0.57) NPC1RAB9AKMT2ANR4A2NR1H4
SCHEMBL6841240 0.83 MEN1 (0.47) SMPD1NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL6841319 0.82 NR4A2 (0.56) NPC1RAB9AKMT2ANR4A2
SCHEMBL6848196 0.81 CYSLTR1 (0.58) NPC1RAB9AMEN1KMT2ANR4A2
SCHEMBL6841241 0.80 CYSLTR1 (0.43) SMPD1NPC1RAB9AMEN1KMT2A
SCHEMBL7550926 0.78 CYSLTR1 (0.42) SMPD1NPC1RAB9AKMT2ANR4A2
SCHEMBL6845358 0.77 NPC1 (0.47) NPC1RAB9AMEN1KMT2ANR1H4
SCHEMBL6846538 0.76 ATM (0.48) NPC1RAB9AMEN1KMT2A
SCHEMBL6846907 0.76 BRAF (0.49) NPC1RAB9AMEN1KMT2ANR1H4
SCHEMBL6846623 0.76 GPR132 (0.45) NPC1RAB9AMEN1KMT2ANR4A2

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 SMPD1 1129/4885NPC1 4543/4885RAB9A 1183/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA SMPD1 1129/4885NPC1 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.