SCHEMBL6846538

SCHEMBL6846538

COc1cc(NC(=O)c2cccc(OCc3cncc4ccccc34)c2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CSF1R P07333 1/20 0.46
P4HTM Q9NXG6 1/20 0.45
MAPK8 P45983 2/20 0.45
MAPK10 P53779 2/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
BCHE P06276 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
Hydrochloric Acid SCHEMBL6845436 0.99 ATM (0.47) ATMNPC1RAB9APOLBCASP3
SCHEMBL6845358 0.84 NPC1 (0.47) NPC1RAB9APOLBCASP3SENP8
SCHEMBL6846797 0.81 NPC1 (0.44) NPC1RAB9APOLBCASP3SENP8
SCHEMBL6848196 0.81 CYSLTR1 (0.58) NPC1RAB9AMEN1KMT2AMAPK8
SCHEMBL6846860 0.80 NPC1 (0.48) NPC1RAB9APOLBCASP3SENP8
SCHEMBL6846734 0.80 NPC1 (0.48) NPC1RAB9APOLBCASP3SENP8
SCHEMBL6846907 0.80 BRAF (0.49) NPC1RAB9APOLBCASP3SENP8
SCHEMBL6841240 0.79 MEN1 (0.47) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6846662 0.79 NPC1 (0.53) NPC1RAB9APOLBCASP3SENP8
SCHEMBL6846707 0.79 GPR132 (0.60) ALDH1A1

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 5 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 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 ATM 540/4885NPC1 4543/4885RAB9A 1183/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ATM 540/4885NPC1 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.