SCHEMBL6846734

SCHEMBL6846734

CC1(C)CCC(C)(C)c2cc(NC(=O)c3cccc(OCc4cncc5ccccc45)c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
CYP26A1 O43174 3/20 0.45
CYP3A4 P08684 2/20 0.45
RARA P10276 2/20 0.45
RARB P10826 2/20 0.45
RARG P13631 2/20 0.45
PGR P06401 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
TBXA2R P21731 1/20 0.45
BLVRB P30043 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
CYP26B1 Q9NR63 1/20 0.44

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
SCHEMBL6846860 0.88 NPC1 (0.48) NPC1RAB9APOLBCASP3SENP8
SCHEMBL7541794 0.83 NPC1 (0.45) NPC1RAB9APOLBCASP3SENP8
SCHEMBL6845358 0.81 NPC1 (0.47) NPC1RAB9APOLBCASP3SENP8
SCHEMBL6846538 0.80 ATM (0.48) NPC1RAB9APOLBCASP3SENP8
SCHEMBL6846662 0.80 NPC1 (0.53) NPC1RAB9APOLBCASP3SENP8
Hydrochloric Acid SCHEMBL6845436 0.80 ATM (0.47) NPC1RAB9APOLBCASP3SENP8
Hydrochloric Acid SCHEMBL6846679 0.79 NPC1 (0.55) NPC1RAB9APOLBCASP3SENP8
SCHEMBL6846715 0.79 MMP9 (0.56) NPC1RAB9APOLBCASP3SENP8
SCHEMBL6846907 0.79 BRAF (0.49) NPC1RAB9APOLBCASP3SENP8
SCHEMBL6846797 0.78 NPC1 (0.44) NPC1RAB9APOLBCASP3SENP8

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
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
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

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 NPC1 4543/4885RAB9A 1183/4885POLB 2588/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA NPC1 4543/4885RAB9A 1183/4885POLB 2588/4885

“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.