SCHEMBL5856882

SCHEMBL5856882

CN(C(=O)C(C)(C)N)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccc3nccnc3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.35
SMN1; SMN2 Q16637 7/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 8/20 0.34
NPC1 O15118 8/20 0.34
MAPT P10636 7/20 0.34
TP53 P04637 3/20 0.34
ALDH1A1 P00352 6/20 0.33
GAA P10253 2/20 0.33
PDGFRB P09619 1/20 0.33
NOTUM Q6P988 1/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL5858314 0.91 NOTUM (0.39) BACE1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL5859779 0.91 RAB9A (0.36) SMN1; SMN2MEN1KMT2AHTTRAB9A
SCHEMBL3932867 0.86 MAPT (0.37) BACE1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL5856888 0.86 MAPT (0.37) BACE1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL4488531 0.86 BACE1 (0.41) BACE1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL4500074 0.85 BACE1 (0.38) BACE1SMN1; SMN2MAPTTP53PDGFRB
SCHEMBL3938163 0.85 MAPT (0.36) BACE1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL5856991 0.85 MAPT (0.36) BACE1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL3940647 0.84 BACE1 (0.35) BACE1SMN1; SMN2MAPTTP53PDGFRB
SCHEMBL225790 0.83 NR1H4 (0.39) BACE1SMN1; SMN2MEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 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 (1 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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 BACE1 1424/4885SMN1; SMN2 4299/4885MEN1 1664/4885

“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.