SCHEMBL6846445

SCHEMBL6846445

Cc1cc(NC(=O)c2cccc(OCc3ccc(Cl)nc3)c2)ccc1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.55
KCNQ2 O43526 4/20 0.55
NR1H4 Q96RI1 3/20 0.52
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 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
KCNE1 P15382 2/20 0.47
KCNQ1 P51787 2/20 0.47
BRAF P15056 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL6841256 0.89 NR1H4 (0.52) NR1H4KMT2AMEN1NPC1RAB9A
SCHEMBL6844825 0.87 KMT2A (0.54) NR1H4KMT2AMEN1NPC1RAB9A
SCHEMBL6846794 0.86 NR1H4 (0.48) NR1H4KMT2AMEN1NPC1RAB9A
SCHEMBL6844726 0.83 ALDH1A1 (0.49) NR1H4KMT2AMEN1NPC1RAB9A
SCHEMBL6846628 0.81 NPC1 (0.48) KCNQ3KCNQ2NR1H4KMT2AMEN1
SCHEMBL6846662 0.78 NPC1 (0.53) NR1H4KMT2AMEN1NPC1RAB9A
SCHEMBL6841481 0.74 KMT2A (0.57) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL1168313 0.74 NR4A2 (0.71) NPC1RAB9A
SCHEMBL6848483 0.74 NPC1 (0.42) NR1H4KMT2AMEN1NPC1RAB9A
SCHEMBL17409720 0.73 KCNK3 (0.70) KMT2AMEN1NPC1RAB9APOLB

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 KCNQ3 4461/4885KCNQ2 4326/4885NR1H4 3220/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA KCNQ3 4461/4885KCNQ2 4326/4885NR1H4 3220/4885

“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.