SCHEMBL3452348

SCHEMBL3452348

CC(C)(C)[C@@H](NCC(F)CNC(=O)O)c1nc(-c2ccccc2)cn1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.39
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
PDE10A Q9Y233 2/20 0.35
RAB9A P51151 3/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KLKB1 P03952 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3452346 1.00 BRD4 (0.39) BRD4NPC1MAPTLMNAPDE10A
SCHEMBL3452342 1.00 BRD4 (0.39) BRD4NPC1MAPTLMNAPDE10A
SCHEMBL11886698 0.90 SYK (0.38) BRD4NPC1
SCHEMBL3854400 0.89 BRD4 (0.38) BRD4NPC1PDE10AKLKB1BRD2
SCHEMBL1054887 0.85 BRD4 (0.35) BRD4NPC1LMNABRD2BRD3
SCHEMBL1054889 0.85 BRD4 (0.35) BRD4NPC1LMNABRD2BRD3
SCHEMBL1054884 0.85 BRD4 (0.38) BRD4NPC1MAPTLMNAPDE10A
SCHEMBL5506152 0.83 BRD4 (0.46) BRD4NPC1PDE10ARAB9APOLB
SCHEMBL1929365 0.83 BRD4 (0.46) BRD4NPC1PDE10ARAB9APOLB
SCHEMBL3848615 0.81 TLR8 (0.39) BRD4

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-20120189623-A1 CYCLIZED DERIVATIVES AS EG-5 INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-07-26 US disclosed
US-7820646-B2 Cyclized derivatives as Eg-5 inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-10-26 US disclosed
EP-2106399-A2 IMIDAZOLE DERIVATIVES AS KINESIN SPINDLE PROTEIN INHIBITORS (EG-5) Novartis AG (CH) 2009-10-07 EP disclosed
US-20080207589-A1 CYCLIZED DERIVATIVES AS EG-5 INHIBITORS NOVARTIS AG 2008-08-28 US disclosed
WO-2008086122-A2 IMIDAZOLE DERIVATIVES AS KINESIN SPINDLE PROTEIN INHIBITORS (EG-5) NOVARTIS AG (CH) 2008-07-17 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-20120189623-A1 CYCLIZED DERIVATIVES AS EG-5 INHIBITORS CYP3A5, GDI2, HDAC5 BRD4 2965/4885NPC1 191/4885MAPT 2116/4885
US-20080207589-A1 CYCLIZED DERIVATIVES AS EG-5 INHIBITORS CYP3A5, GDI2, HDAC5 BRD4 2965/4885NPC1 191/4885MAPT 2116/4885

“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.