SCHEMBL5856626

SCHEMBL5856626

CN(C)CCN(C)C(=O)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc3ncccc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HTT P42858 2/20 0.40
HRH4 Q9H3N8 2/20 0.39
SLC6A7 Q99884 1/20 0.37
ALOX15 P16050 1/20 0.37
POLB P06746 2/20 0.36
PLK1 P53350 2/20 0.35
ATR Q13535 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
MAPT P10636 2/20 0.34
F11 P03951 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DOT1L Q8TEK3 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3944120 1.00 NPC1 (0.40) NPC1RAB9AHTTHRH4SLC6A7
SCHEMBL5857611 0.94 SLC6A7 (0.37) NPC1RAB9AHTTHRH4SLC6A7
SCHEMBL3938321 0.94 SLC6A7 (0.37) NPC1RAB9AHTTHRH4SLC6A7
SCHEMBL3936042 0.91 HRH4 (0.39) NPC1RAB9AHTTHRH4SLC6A7
SCHEMBL5858403 0.91 HRH4 (0.39) NPC1RAB9AHTTHRH4SLC6A7
SCHEMBL3934811 0.89 NPC1 (0.39) NPC1RAB9AHTTALOX15POLB
SCHEMBL5858293 0.89 NPC1 (0.39) NPC1RAB9AHTTALOX15POLB
SCHEMBL3933521 0.88 RAB9A (0.39) NPC1RAB9AHTTALOX15POLB
SCHEMBL5858294 0.88 RAB9A (0.39) NPC1RAB9AHTTALOX15POLB
SCHEMBL5859771 0.87 NPC1 (0.40) NPC1RAB9AHTTALOX15POLB

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 NPC1 4723/4885RAB9A 3709/4885HTT 4263/4885

“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.