SCHEMBL6846561

SCHEMBL6846561

CON(C)C(=O)/C=C/c1cccc(C(=O)Nc2ccc(C(C)C)c(C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
MAPT P10636 4/20 0.45
HSP90AA1 P07900 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PKM P14618 2/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MAPK14 Q16539 3/20 0.43
SMO Q99835 1/20 0.43
SNCA P37840 1/20 0.42
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPC1 O15118 4/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL6846567 1.00 RAB9A (0.45) RAB9AMAPTHSP90AA1ALDH1A1GAA
SCHEMBL6846671 0.81 RAB9A (0.53) RAB9AMAPTHSP90AA1ALDH1A1GAA
SCHEMBL6841416 0.78 RAB9A (0.44) RAB9AMAPTHSP90AA1ALDH1A1GAA
SCHEMBL17409720 0.76 KCNK3 (0.70) RAB9AMAPTHSP90AA1ALDH1A1GAA
SCHEMBL6845361 0.76 HSP90AA1 (0.42) RAB9AMAPTHSP90AA1ALDH1A1GAA
SCHEMBL23844181 0.75 BRAF (0.58) RAB9AMAPTHSP90AA1ALDH1A1GAA
SCHEMBL6841481 0.75 KMT2A (0.57) RAB9AMAPTHSP90AA1ALDH1A1GAA
SCHEMBL5490431 0.75 RAB9A (0.66) RAB9AMAPTHSP90AA1ALDH1A1GAA
SCHEMBL18556971 0.71 KCNK3 (0.53) RAB9AMAPTHSP90AA1ALDH1A1GAA
SCHEMBL6168761 0.71 PARP1 (0.47)

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 RAB9A 1183/4885MAPT 899/4885HSP90AA1 910/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA RAB9A 1183/4885MAPT 899/4885HSP90AA1 910/4885

“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.