SCHEMBL6841245

SCHEMBL6841245

Cc1ccc2cc(NC(=O)c3cccc(CCl)c3)ccc2n1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.70
RAB9A P51151 8/20 0.70
POLB P06746 2/20 0.69
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
PLAU P00749 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PIR O00625 2/20 0.48
BRAF P15056 1/20 0.48
HSF1 Q00613 1/20 0.48
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PABPC1 P11940 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
SCHEMBL6845337 0.88 NPC1 (0.70) NPC1RAB9APOLBMEN1KMT2A
Iodide SCHEMBL6846592 0.84 NPC1 (0.69) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6846724 0.83 NPC1 (0.76) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL2176831 0.82 NPC1 (1.00) NPC1RAB9APOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL6841465 0.82 RAB9A (0.61) NPC1RAB9APOLBMEN1KMT2A
Iodide SCHEMBL6846595 0.82 NPC1 (0.67) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6844800 0.78 NPC1 (0.68) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6846857 0.78 NPC1 (0.58) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6841262 0.78 NPC1 (0.56) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL6846878 0.77 NPC1 (0.57) NPC1RAB9APOLB

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 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.